2-[(E)-3-[2-(cyclohexylmethyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile

Systemtic Name: 2-[(E)-3-[2-(cyclohexylmethyl)piperazin-1-yl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile Openeye Name: 2-[(E)-3-[2-(cyclohexylmethyl)piperazin-1-yl]-3-oxo-prop-1-enyl]benzonitrile CAS Name: 2-[(E)-3-[2-(cyclohexylmethyl)-1-piperazinyl]-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 2-[(E)-3-[2-(cyclohexylmethyl)piperazin-1-yl]-3-oxoprop-1-enyl]benzonitrile Traditional Name: 2-[(E)-3-[2-(cyclohexylmethyl)piperazino]-3-keto-prop-1-enyl]benzonitrile Formula: C21H27N3O MolecularWeight: 337.45858

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC2CNCCN2C(=O)C=CC3=CC=CC=C3C#N

Isomeric SMILES

C1CCC(CC1)CC2CNCCN2C(=O)/C=C/C3=CC=CC=C3C#N

InChI

InChI=1S/C21H27N3O/c22-15-19-9-5-4-8-18(19)10-11-21(25)24-13-12-23-16-20(24)14-17-6-2-1-3-7-17/h4-5,8-11,17,20,23H,1-3,6-7,12-14,16H2/b11-10+