Mrv0541 09211104392D 35 37 0 0 0 0 999 V2000 4.6488 3.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9502 2.4825 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4358 1.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7938 1.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4358 0.3508 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9502 -0.2942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6315 0.1673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4479 -0.6370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0527 -1.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8691 -2.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0808 -2.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4760 -1.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6596 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9865 0.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 0.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5575 0.6816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8431 0.2691 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.5575 1.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 1.9191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9865 1.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6315 2.0210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4168 3.5518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3474 4.0184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8808 2.9490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5289 1.4687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5289 0.7195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7660 -0.1712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8411 -0.9550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4739 -2.5636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8972 -3.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6876 -1.9277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0548 -0.3191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7871 -0.3983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 1.9191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 2.7441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 4 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 8 13 1 0 0 0 0 7 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 14 20 1 0 0 0 0 20 21 2 0 0 0 0 3 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 6 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 15 33 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 M END > t3db > T3D2804 > CN=C1CN(O)C(C2=CC=CC=C2)=C2C=C(Cl)C=CC2=N1 > InChI=1S/C16H14ClN3O/c1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15/h2-9,21H,10H2,1H3/b18-15- > InChIKey=BUCORZSTKDOEKQ-SDXDJHTJSA-N > 4 > 30.990260458742604 > 1 > 299.082539792 > 0 > C16H14ClN3O > 7-chloro-2-(methylimino)-5-phenyl-3,4-dihydro-2H-1,4-benzodiazepin-4-ol > 1.6284437370000004 > 299.755 > 16.10182410283046 > 48.19 > 87.4266 > 1 > 7-chloro-2-(methylimino)-5-phenyl-3H-1,4-benzodiazepin-4-ol $$$$