1-[3-(4,4-dimethylcyclohexyl)-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]piperidine-4-carbonitrile

Systemtic Name: 1-[3-(4,4-dimethylcyclohexyl)-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]piperidine-4-carbonitrile Openeye Name: 1-[3-(4,4-dimethylcyclohexyl)-4-(4-isobutylpiperazin-1-yl)phenyl]piperidine-4-carbonitrile CAS Name: 1-[3-(4,4-dimethylcyclohexyl)-4-[4-(2-methylpropyl)-1-piperazinyl]phenyl]-4-piperidinecarbonitrile IUPAC Name: 1-[3-(4,4-dimethylcyclohexyl)-4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]piperidine-4-carbonitrile Traditional Name: 1-[3-(4,4-dimethylcyclohexyl)-4-(4-isobutylpiperazino)phenyl]isonipecotonitrile Formula: C28H44N4 MolecularWeight: 436.67576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCN(CC1)C2=C(C=C(C=C2)N3CCC(CC3)C#N)C4CCC(CC4)(C)C

Isomeric SMILES

CC(C)CN1CCN(CC1)C2=C(C=C(C=C2)N3CCC(CC3)C#N)C4CCC(CC4)(C)C

InChI

InChI=1S/C28H44N4/c1-22(2)21-30-15-17-32(18-16-30)27-6-5-25(31-13-9-23(20-29)10-14-31)19-26(27)24-7-11-28(3,4)12-8-24/h5-6,19,22-24H,7-18,21H2,1-4H3