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

Systemtic Name: 2-[4-[2-(4,4-dimethylcyclohexyl)-4-(4-methoxypiperidin-1-yl)phenyl]piperazin-1-yl]ethanenitrile Openeye Name: 2-[4-[2-(4,4-dimethylcyclohexyl)-4-(4-methoxy-1-piperidyl)phenyl]piperazin-1-yl]acetonitrile CAS Name: 2-[4-[2-(4,4-dimethylcyclohexyl)-4-(4-methoxy-1-piperidinyl)phenyl]-1-piperazinyl]acetonitrile IUPAC Name: 2-[4-[2-(4,4-dimethylcyclohexyl)-4-(4-methoxypiperidin-1-yl)phenyl]piperazin-1-yl]acetonitrile Traditional Name: 2-[4-[2-(4,4-dimethylcyclohexyl)-4-(4-methoxypiperidino)phenyl]piperazino]acetonitrile Formula: C26H40N4O MolecularWeight: 424.622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)C2=C(C=CC(=C2)N3CCC(CC3)OC)N4CCN(CC4)CC#N)C

Isomeric SMILES

CC1(CCC(CC1)C2=C(C=CC(=C2)N3CCC(CC3)OC)N4CCN(CC4)CC#N)C

InChI

InChI=1S/C26H40N4O/c1-26(2)10-6-21(7-11-26)24-20-22(29-13-8-23(31-3)9-14-29)4-5-25(24)30-18-16-28(15-12-27)17-19-30/h4-5,20-21,23H,6-11,13-19H2,1-3H3