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

Systemtic Name: 4-[4-(2-oxidanyl-3-phenyl-propyl)piperazin-1-yl]-1-phenyl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-(2-hydroxy-3-phenyl-propyl)piperazin-1-yl]-1-phenyl-cyclohexanecarbonitrile CAS Name: 4-[4-(2-hydroxy-3-phenylpropyl)-1-piperazinyl]-1-phenyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-(2-hydroxy-3-phenylpropyl)piperazin-1-yl]-1-phenylcyclohexane-1-carbonitrile Traditional Name: 4-[4-(2-hydroxy-3-phenyl-propyl)piperazino]-1-phenyl-cyclohexanecarbonitrile Formula: C26H33N3O MolecularWeight: 403.55972

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2CCN(CC2)CC(CC3=CC=CC=C3)O)(C#N)C4=CC=CC=C4

Isomeric SMILES

C1CC(CCC1N2CCN(CC2)CC(CC3=CC=CC=C3)O)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C26H33N3O/c27-21-26(23-9-5-2-6-10-23)13-11-24(12-14-26)29-17-15-28(16-18-29)20-25(30)19-22-7-3-1-4-8-22/h1-10,24-25,30H,11-20H2