1-[4-(4-propylpiperazin-1-yl)-3-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperidine-4-carbonitrile

Systemtic Name: 1-[4-(4-propylpiperazin-1-yl)-3-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperidine-4-carbonitrile Openeye Name: 1-[4-(4-propylpiperazin-1-yl)-3-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperidine-4-carbonitrile CAS Name: 1-[4-(4-propyl-1-piperazinyl)-3-(3,3,5,5-tetramethylcyclohexyl)phenyl]-4-piperidinecarbonitrile IUPAC Name: 1-[4-(4-propylpiperazin-1-yl)-3-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperidine-4-carbonitrile Traditional Name: 1-[4-(4-propylpiperazino)-3-(3,3,5,5-tetramethylcyclohexyl)phenyl]isonipecotonitrile Formula: C29H46N4 MolecularWeight: 450.70234

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C2=C(C=C(C=C2)N3CCC(CC3)C#N)C4CC(CC(C4)(C)C)(C)C

Isomeric SMILES

CCCN1CCN(CC1)C2=C(C=C(C=C2)N3CCC(CC3)C#N)C4CC(CC(C4)(C)C)(C)C

InChI

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