1-[4-(4-butylpiperazin-1-yl)-3-(4,4-dimethylcyclohexyl)phenyl]piperidine-4-carbonitrile

Systemtic Name: 1-[4-(4-butylpiperazin-1-yl)-3-(4,4-dimethylcyclohexyl)phenyl]piperidine-4-carbonitrile Openeye Name: 1-[4-(4-butylpiperazin-1-yl)-3-(4,4-dimethylcyclohexyl)phenyl]piperidine-4-carbonitrile CAS Name: 1-[4-(4-butyl-1-piperazinyl)-3-(4,4-dimethylcyclohexyl)phenyl]-4-piperidinecarbonitrile IUPAC Name: 1-[4-(4-butylpiperazin-1-yl)-3-(4,4-dimethylcyclohexyl)phenyl]piperidine-4-carbonitrile Traditional Name: 1-[4-(4-butylpiperazino)-3-(4,4-dimethylcyclohexyl)phenyl]isonipecotonitrile Formula: C28H44N4 MolecularWeight: 436.67576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C2=C(C=C(C=C2)N3CCC(CC3)C#N)C4CCC(CC4)(C)C

Isomeric SMILES

CCCCN1CCN(CC1)C2=C(C=C(C=C2)N3CCC(CC3)C#N)C4CCC(CC4)(C)C

InChI

InChI=1S/C28H44N4/c1-4-5-14-30-17-19-32(20-18-30)27-7-6-25(31-15-10-23(22-29)11-16-31)21-26(27)24-8-12-28(2,3)13-9-24/h6-7,21,23-24H,4-5,8-20H2,1-3H3