3-[[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]carbonyl]benzenecarbonitrile

Systemtic Name: 3-[[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]carbonyl]benzenecarbonitrile Openeye Name: 3-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl]benzonitrile CAS Name: 3-[[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-oxomethyl]benzonitrile IUPAC Name: 3-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl]benzonitrile Traditional Name: 3-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl]benzonitrile Formula: C27H23N5O MolecularWeight: 433.50442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(CN1C(=O)C3=CC=CC(=C3)C#N)C=C(C=C2)C4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

C1CN(C2=C(CN1C(=O)C3=CC=CC(=C3)C#N)C=C(C=C2)C4=CC=CC=C4)CC5=CN=CN5

InChI

InChI=1S/C27H23N5O/c28-15-20-5-4-8-23(13-20)27(33)32-12-11-31(18-25-16-29-19-30-25)26-10-9-22(14-24(26)17-32)21-6-2-1-3-7-21/h1-10,13-14,16,19H,11-12,17-18H2,(H,29,30)