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

Systemtic Name: 1-[3-(4,4-dimethylcyclohexyl)-4-(4-pentylpiperazin-1-yl)phenyl]piperidine-4-carbonitrile Openeye Name: 1-[3-(4,4-dimethylcyclohexyl)-4-(4-pentylpiperazin-1-yl)phenyl]piperidine-4-carbonitrile CAS Name: 1-[3-(4,4-dimethylcyclohexyl)-4-(4-pentyl-1-piperazinyl)phenyl]-4-piperidinecarbonitrile IUPAC Name: 1-[3-(4,4-dimethylcyclohexyl)-4-(4-pentylpiperazin-1-yl)phenyl]piperidine-4-carbonitrile Traditional Name: 1-[4-(4-amylpiperazino)-3-(4,4-dimethylcyclohexyl)phenyl]isonipecotonitrile Formula: C29H46N4 MolecularWeight: 450.70234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCN(CC1)C2=C(C=C(C=C2)N3CCC(CC3)C#N)C4CCC(CC4)(C)C

Isomeric SMILES

CCCCCN1CCN(CC1)C2=C(C=C(C=C2)N3CCC(CC3)C#N)C4CCC(CC4)(C)C

InChI

InChI=1S/C29H46N4/c1-4-5-6-15-31-18-20-33(21-19-31)28-8-7-26(32-16-11-24(23-30)12-17-32)22-27(28)25-9-13-29(2,3)14-10-25/h7-8,22,24-25H,4-6,9-21H2,1-3H3