4-[4-(3-imidazol-1-ylphenyl)-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-8-yl]benzenecarbonitrile

Systemtic Name: 4-[4-(3-imidazol-1-ylphenyl)-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepin-8-yl]benzenecarbonitrile Openeye Name: 4-[4-(3-imidazol-1-ylphenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-8-yl]benzonitrile CAS Name: 4-[4-[3-(1-imidazolyl)phenyl]-2-oxo-1,3-dihydro-1,5-benzodiazepin-8-yl]benzonitrile IUPAC Name: 4-[4-(3-imidazol-1-ylphenyl)-2-oxo-1,3-dihydro-1,5-benzodiazepin-8-yl]benzonitrile Traditional Name: 4-[4-(3-imidazol-1-ylphenyl)-2-keto-1,3-dihydro-1,5-benzodiazepin-8-yl]benzonitrile Formula: C25H17N5O MolecularWeight: 403.43538

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)C3=CC=C(C=C3)C#N)NC1=O)C4=CC(=CC=C4)N5C=CN=C5

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)C3=CC=C(C=C3)C#N)NC1=O)C4=CC(=CC=C4)N5C=CN=C5

InChI

InChI=1S/C25H17N5O/c26-15-17-4-6-18(7-5-17)19-8-9-22-24(13-19)29-25(31)14-23(28-22)20-2-1-3-21(12-20)30-11-10-27-16-30/h1-13,16H,14H2,(H,29,31)