4-[9-(4-fluorophenyl)-7-oxidanylidene-5-thiophen-2-ylcarbonyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]benzenecarbonitrile

Systemtic Name: 4-[9-(4-fluorophenyl)-7-oxidanylidene-5-thiophen-2-ylcarbonyl-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]benzenecarbonitrile Openeye Name: 4-[9-(4-fluorophenyl)-7-oxo-5-(thiophene-2-carbonyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]benzonitrile CAS Name: 4-[9-(4-fluorophenyl)-7-oxo-5-[oxo(thiophen-2-yl)methyl]-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]benzonitrile IUPAC Name: 4-[9-(4-fluorophenyl)-7-oxo-5-(thiophene-2-carbonyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]benzonitrile Traditional Name: 4-[9-(4-fluorophenyl)-7-keto-5-(2-thenoyl)-8,9,10,11-tetrahydro-6H-benzo[b][1,4]benzodiazepin-6-yl]benzonitrile Formula: C31H22FN3O2S MolecularWeight: 519.588683

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C2=C1NC3=CC=CC=C3N(C2C4=CC=C(C=C4)C#N)C(=O)C5=CC=CS5)C6=CC=C(C=C6)F

Isomeric SMILES

C1C(CC(=O)C2=C1NC3=CC=CC=C3N(C2C4=CC=C(C=C4)C#N)C(=O)C5=CC=CS5)C6=CC=C(C=C6)F

InChI

InChI=1S/C31H22FN3O2S/c32-23-13-11-20(12-14-23)22-16-25-29(27(36)17-22)30(21-9-7-19(18-33)8-10-21)35(31(37)28-6-3-15-38-28)26-5-2-1-4-24(26)34-25/h1-15,22,30,34H,16-17H2