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

Systemtic Name: 1-[3-(4,4-dimethylcyclohexyl)-4-(4-propylpiperazin-1-yl)phenyl]piperidine-4-carbonitrile hydrochloride Openeye Name: 1-[3-(4,4-dimethylcyclohexyl)-4-(4-propylpiperazin-1-yl)phenyl]piperidine-4-carbonitrile hydrochloride CAS Name: 1-[3-(4,4-dimethylcyclohexyl)-4-(4-propyl-1-piperazinyl)phenyl]-4-piperidinecarbonitrile hydrochloride IUPAC Name: 1-[3-(4,4-dimethylcyclohexyl)-4-(4-propylpiperazin-1-yl)phenyl]piperidine-4-carbonitrile hydrochloride Traditional Name: 1-[3-(4,4-dimethylcyclohexyl)-4-(4-propylpiperazino)phenyl]isonipecotonitrile hydrochloride Formula: C27H43ClN4 MolecularWeight: 459.11012

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2=C(C=C(C=C2)N3CCC(CC3)C#N)C4CCC(CC4)(C)C.Cl

Isomeric SMILES

CCCN1CCN(CC1)C2=C(C=C(C=C2)N3CCC(CC3)C#N)C4CCC(CC4)(C)C.Cl

InChI

InChI=1S/C27H42N4.ClH/c1-4-13-29-16-18-31(19-17-29)26-6-5-24(30-14-9-22(21-28)10-15-30)20-25(26)23-7-11-27(2,3)12-8-23;/h5-6,20,22-23H,4,7-19H2,1-3H3;1H