2-[4-[2-(4,4-dimethylcyclohexyl)-4-pyrrolidin-1-yl-phenyl]piperazin-1-yl]ethanenitrile

Systemtic Name: 2-[4-[2-(4,4-dimethylcyclohexyl)-4-pyrrolidin-1-yl-phenyl]piperazin-1-yl]ethanenitrile Openeye Name: 2-[4-[2-(4,4-dimethylcyclohexyl)-4-pyrrolidin-1-yl-phenyl]piperazin-1-yl]acetonitrile CAS Name: 2-[4-[2-(4,4-dimethylcyclohexyl)-4-(1-pyrrolidinyl)phenyl]-1-piperazinyl]acetonitrile IUPAC Name: 2-[4-[2-(4,4-dimethylcyclohexyl)-4-pyrrolidin-1-ylphenyl]piperazin-1-yl]acetonitrile Traditional Name: 2-[4-[2-(4,4-dimethylcyclohexyl)-4-pyrrolidino-phenyl]piperazino]acetonitrile Formula: C24H36N4 MolecularWeight: 380.56944

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)C2=C(C=CC(=C2)N3CCCC3)N4CCN(CC4)CC#N)C

Isomeric SMILES

CC1(CCC(CC1)C2=C(C=CC(=C2)N3CCCC3)N4CCN(CC4)CC#N)C

InChI

InChI=1S/C24H36N4/c1-24(2)9-7-20(8-10-24)22-19-21(27-12-3-4-13-27)5-6-23(22)28-17-15-26(14-11-25)16-18-28/h5-6,19-20H,3-4,7-10,12-18H2,1-2H3