3-[(3E)-2-oxidanylidene-1-phenyl-3-(phenylmethylidene)cyclohexyl]propanenitrile

Systemtic Name: 3-[(3E)-2-oxidanylidene-1-phenyl-3-(phenylmethylidene)cyclohexyl]propanenitrile Openeye Name: 3-[(3E)-3-benzylidene-2-oxo-1-phenyl-cyclohexyl]propanenitrile CAS Name: 3-[(3E)-2-oxo-1-phenyl-3-(phenylmethylene)cyclohexyl]propanenitrile IUPAC Name: 3-[(3E)-3-benzylidene-2-oxo-1-phenylcyclohexyl]propanenitrile Traditional Name: 3-[(3E)-3-benzal-2-keto-1-phenyl-cyclohexyl]propionitrile Formula: C22H21NO MolecularWeight: 315.40824

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC2=CC=CC=C2)C(=O)C(C1)(CCC#N)C3=CC=CC=C3

Isomeric SMILES

C1C/C(=C\C2=CC=CC=C2)/C(=O)C(C1)(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C22H21NO/c23-16-8-15-22(20-12-5-2-6-13-20)14-7-11-19(21(22)24)17-18-9-3-1-4-10-18/h1-6,9-10,12-13,17H,7-8,11,14-15H2/b19-17+