(6E)-5-methyl-7-oxidanyl-7-phenyl-6-(phenylmethylidene)-1H-1,4-diazepine-2,3-dicarbonitrile

Systemtic Name: (6E)-5-methyl-7-oxidanyl-7-phenyl-6-(phenylmethylidene)-1H-1,4-diazepine-2,3-dicarbonitrile Openeye Name: (6E)-6-benzylidene-7-hydroxy-5-methyl-7-phenyl-1H-1,4-diazepine-2,3-dicarbonitrile CAS Name: (6E)-7-hydroxy-5-methyl-7-phenyl-6-(phenylmethylene)-1H-1,4-diazepine-2,3-dicarbonitrile IUPAC Name: (6E)-6-benzylidene-7-hydroxy-5-methyl-7-phenyl-1H-1,4-diazepine-2,3-dicarbonitrile Traditional Name: (6E)-6-benzal-7-hydroxy-5-methyl-7-phenyl-1H-1,4-diazepine-2,3-dicarbonitrile Formula: C21H16N4O MolecularWeight: 340.37794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(NC(C1=CC2=CC=CC=C2)(C3=CC=CC=C3)O)C#N)C#N

Isomeric SMILES

CC\1=NC(=C(NC(/C1=C/C2=CC=CC=C2)(C3=CC=CC=C3)O)C#N)C#N

InChI

InChI=1S/C21H16N4O/c1-15-18(12-16-8-4-2-5-9-16)21(26,17-10-6-3-7-11-17)25-20(14-23)19(13-22)24-15/h2-12,25-26H,1H3/b18-12+