2-(4-cyclohexylpiperazin-1-yl)-2-[4-[oxidanyl(phenyl)methyl]phenyl]ethanenitrile

Systemtic Name: 2-(4-cyclohexylpiperazin-1-yl)-2-[4-[oxidanyl(phenyl)methyl]phenyl]ethanenitrile Openeye Name: 2-(4-cyclohexylpiperazin-1-yl)-2-[4-[hydroxy(phenyl)methyl]phenyl]acetonitrile CAS Name: 2-(4-cyclohexyl-1-piperazinyl)-2-[4-[hydroxy(phenyl)methyl]phenyl]acetonitrile IUPAC Name: 2-(4-cyclohexylpiperazin-1-yl)-2-[4-[hydroxy(phenyl)methyl]phenyl]acetonitrile Traditional Name: 2-(4-cyclohexylpiperazino)-2-[4-[hydroxy(phenyl)methyl]phenyl]acetonitrile Formula: C25H31N3O MolecularWeight: 389.53314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(C#N)C3=CC=C(C=C3)C(C4=CC=CC=C4)O

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(C#N)C3=CC=C(C=C3)C(C4=CC=CC=C4)O

InChI

InChI=1S/C25H31N3O/c26-19-24(28-17-15-27(16-18-28)23-9-5-2-6-10-23)20-11-13-22(14-12-20)25(29)21-7-3-1-4-8-21/h1,3-4,7-8,11-14,23-25,29H,2,5-6,9-10,15-18H2