3-(4-chlorophenyl)-5-oxidanylidene-7-phenyl-2-(phenylmethyl)-3,4-dihydro-1H-1,2-diazepine-6-carbonitrile

Systemtic Name: 3-(4-chlorophenyl)-5-oxidanylidene-7-phenyl-2-(phenylmethyl)-3,4-dihydro-1H-1,2-diazepine-6-carbonitrile Openeye Name: 2-benzyl-3-(4-chlorophenyl)-5-oxo-7-phenyl-3,4-dihydro-1H-diazepine-6-carbonitrile CAS Name: 3-(4-chlorophenyl)-5-oxo-7-phenyl-2-(phenylmethyl)-3,4-dihydro-1H-diazepine-6-carbonitrile IUPAC Name: 2-benzyl-3-(4-chlorophenyl)-5-oxo-7-phenyl-3,4-dihydro-1H-diazepine-6-carbonitrile Traditional Name: 2-benzyl-3-(4-chlorophenyl)-5-keto-7-phenyl-3,4-dihydro-1H-diazepine-6-carbonitrile Formula: C25H20ClN3O MolecularWeight: 413.8988

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(NC(=C(C1=O)C#N)C2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C(N(NC(=C(C1=O)C#N)C2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H20ClN3O/c26-21-13-11-19(12-14-21)23-15-24(30)22(16-27)25(20-9-5-2-6-10-20)28-29(23)17-18-7-3-1-4-8-18/h1-14,23,28H,15,17H2