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

Systemtic Name: 3-[2-oxidanylidene-8-(4-phenylphenyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzenecarbonitrile Openeye Name: 3-[2-oxo-8-(4-phenylphenyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[2-oxo-8-(4-phenylphenyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-[2-oxo-8-(4-phenylphenyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Traditional Name: 3-[2-keto-8-(4-phenylphenyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C28H19N3O MolecularWeight: 413.46996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H19N3O/c29-18-19-5-4-8-24(15-19)26-17-28(32)31-27-16-23(13-14-25(27)30-26)22-11-9-21(10-12-22)20-6-2-1-3-7-20/h1-16H,17H2,(H,31,32)