4-[4-(3-methyl-2-oxidanyl-3-phenyl-butyl)piperazin-1-yl]-1-phenyl-cyclohexane-1-carbonitrile

Systemtic Name: 4-[4-(3-methyl-2-oxidanyl-3-phenyl-butyl)piperazin-1-yl]-1-phenyl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-(2-hydroxy-3-methyl-3-phenyl-butyl)piperazin-1-yl]-1-phenyl-cyclohexanecarbonitrile CAS Name: 4-[4-(2-hydroxy-3-methyl-3-phenylbutyl)-1-piperazinyl]-1-phenyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-(2-hydroxy-3-methyl-3-phenylbutyl)piperazin-1-yl]-1-phenylcyclohexane-1-carbonitrile Traditional Name: 4-[4-(2-hydroxy-3-methyl-3-phenyl-butyl)piperazino]-1-phenyl-cyclohexanecarbonitrile Formula: C28H37N3O MolecularWeight: 431.61288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C(CN2CCN(CC2)C3CCC(CC3)(C#N)C4=CC=CC=C4)O

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C(CN2CCN(CC2)C3CCC(CC3)(C#N)C4=CC=CC=C4)O

InChI

InChI=1S/C28H37N3O/c1-27(2,23-9-5-3-6-10-23)26(32)21-30-17-19-31(20-18-30)25-13-15-28(22-29,16-14-25)24-11-7-4-8-12-24/h3-12,25-26,32H,13-21H2,1-2H3