4-[4-(oxan-4-ylmethyl)piperazin-1-yl]-3-(3,3,5,5-tetramethylcyclohexyl)benzenecarbonitrile

Systemtic Name: 4-[4-(oxan-4-ylmethyl)piperazin-1-yl]-3-(3,3,5,5-tetramethylcyclohexyl)benzenecarbonitrile Openeye Name: 4-[4-(tetrahydropyran-4-ylmethyl)piperazin-1-yl]-3-(3,3,5,5-tetramethylcyclohexyl)benzonitrile CAS Name: 4-[4-(4-oxanylmethyl)-1-piperazinyl]-3-(3,3,5,5-tetramethylcyclohexyl)benzonitrile IUPAC Name: 4-[4-(oxan-4-ylmethyl)piperazin-1-yl]-3-(3,3,5,5-tetramethylcyclohexyl)benzonitrile Traditional Name: 4-[4-(tetrahydropyran-4-ylmethyl)piperazino]-3-(3,3,5,5-tetramethylcyclohexyl)benzonitrile Formula: C27H41N3O MolecularWeight: 423.63394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(C1)(C)C)C2=C(C=CC(=C2)C#N)N3CCN(CC3)CC4CCOCC4)C

Isomeric SMILES

CC1(CC(CC(C1)(C)C)C2=C(C=CC(=C2)C#N)N3CCN(CC3)CC4CCOCC4)C

InChI

InChI=1S/C27H41N3O/c1-26(2)16-23(17-27(3,4)20-26)24-15-22(18-28)5-6-25(24)30-11-9-29(10-12-30)19-21-7-13-31-14-8-21/h5-6,15,21,23H,7-14,16-17,19-20H2,1-4H3