2-[(1E,3E)-5-(4-cyclohexylpiperazin-1-yl)-5-oxidanylidene-penta-1,3-dienyl]benzenecarbonitrile

Systemtic Name: 2-[(1E,3E)-5-(4-cyclohexylpiperazin-1-yl)-5-oxidanylidene-penta-1,3-dienyl]benzenecarbonitrile Openeye Name: 2-[(1E,3E)-5-(4-cyclohexylpiperazin-1-yl)-5-oxo-penta-1,3-dienyl]benzonitrile CAS Name: 2-[(1E,3E)-5-(4-cyclohexyl-1-piperazinyl)-5-oxopenta-1,3-dienyl]benzonitrile IUPAC Name: 2-[(1E,3E)-5-(4-cyclohexylpiperazin-1-yl)-5-oxopenta-1,3-dienyl]benzonitrile Traditional Name: 2-[(1E,3E)-5-(4-cyclohexylpiperazino)-5-keto-penta-1,3-dienyl]benzonitrile Formula: C22H27N3O MolecularWeight: 349.46928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(=O)C=CC=CC3=CC=CC=C3C#N

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(=O)/C=C/C=C/C3=CC=CC=C3C#N

InChI

InChI=1S/C22H27N3O/c23-18-20-10-5-4-8-19(20)9-6-7-13-22(26)25-16-14-24(15-17-25)21-11-2-1-3-12-21/h4-10,13,21H,1-3,11-12,14-17H2/b9-6+,13-7+