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

Systemtic Name: 1-[4-(4-butylpiperazin-1-yl)-3-(4,4-dimethylcyclohexyl)phenyl]piperidine-4-carbonitrile hydrochloride Openeye Name: 1-[4-(4-butylpiperazin-1-yl)-3-(4,4-dimethylcyclohexyl)phenyl]piperidine-4-carbonitrile hydrochloride CAS Name: 1-[4-(4-butyl-1-piperazinyl)-3-(4,4-dimethylcyclohexyl)phenyl]-4-piperidinecarbonitrile hydrochloride IUPAC Name: 1-[4-(4-butylpiperazin-1-yl)-3-(4,4-dimethylcyclohexyl)phenyl]piperidine-4-carbonitrile hydrochloride Traditional Name: 1-[4-(4-butylpiperazino)-3-(4,4-dimethylcyclohexyl)phenyl]isonipecotonitrile hydrochloride Formula: C28H45ClN4 MolecularWeight: 473.1367

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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.Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H44N4.ClH/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;1H