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

Systemtic Name: 2-[(1E,3E)-5-(4-cyclopentylpiperazin-1-yl)-5-oxidanylidene-penta-1,3-dienyl]benzenecarbonitrile Openeye Name: 2-[(1E,3E)-5-(4-cyclopentylpiperazin-1-yl)-5-oxo-penta-1,3-dienyl]benzonitrile CAS Name: 2-[(1E,3E)-5-(4-cyclopentyl-1-piperazinyl)-5-oxopenta-1,3-dienyl]benzonitrile IUPAC Name: 2-[(1E,3E)-5-(4-cyclopentylpiperazin-1-yl)-5-oxopenta-1,3-dienyl]benzonitrile Traditional Name: 2-[(1E,3E)-5-(4-cyclopentylpiperazino)-5-keto-penta-1,3-dienyl]benzonitrile Formula: C21H25N3O MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2CCN(CC2)C(=O)C=CC=CC3=CC=CC=C3C#N

Isomeric SMILES

C1CCC(C1)N2CCN(CC2)C(=O)/C=C/C=C/C3=CC=CC=C3C#N

InChI

InChI=1S/C21H25N3O/c22-17-19-9-2-1-7-18(19)8-3-6-12-21(25)24-15-13-23(14-16-24)20-10-4-5-11-20/h1-3,6-9,12,20H,4-5,10-11,13-16H2/b8-3+,12-6+