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

Systemtic Name: 2-[[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]carbonyl]benzenecarbonitrile Openeye Name: 2-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl]benzonitrile CAS Name: 2-[[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-oxomethyl]benzonitrile IUPAC Name: 2-[1-(1H-imidazol-5-ylmethyl)-7-phenyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carbonyl]benzonitrile Traditional Name: 2-[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=C3C#N)C=C(C=C2)C4=CC=CC=C4)CC5=CN=CN5

Isomeric SMILES

C1CN(C2=C(CN1C(=O)C3=CC=CC=C3C#N)C=C(C=C2)C4=CC=CC=C4)CC5=CN=CN5

InChI

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