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

Systemtic Name: 3-[(3E)-1-(cyclohexen-1-yl)-2-oxidanylidene-3-(phenylmethylidene)cyclohexyl]propanenitrile Openeye Name: 3-[(3E)-3-benzylidene-1-(cyclohexen-1-yl)-2-oxo-cyclohexyl]propanenitrile CAS Name: 3-[(3E)-1-(1-cyclohexenyl)-2-oxo-3-(phenylmethylene)cyclohexyl]propanenitrile IUPAC Name: 3-[(3E)-3-benzylidene-1-(cyclohexen-1-yl)-2-oxocyclohexyl]propanenitrile Traditional Name: 3-[(3E)-3-benzal-1-(cyclohexen-1-yl)-2-keto-cyclohexyl]propionitrile Formula: C22H25NO MolecularWeight: 319.44

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)C2(CCCC(=CC3=CC=CC=C3)C2=O)CCC#N

Isomeric SMILES

C1CCC(=CC1)C2(CCC/C(=C\C3=CC=CC=C3)/C2=O)CCC#N

InChI

InChI=1S/C22H25NO/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/h1,3-4,9-10,12,17H,2,5-8,11,13-15H2/b19-17+