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

Systemtic Name: 4-[4-(2-oxidanyl-3-phenoxy-propyl)piperazin-1-yl]-1-phenyl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-(2-hydroxy-3-phenoxy-propyl)piperazin-1-yl]-1-phenyl-cyclohexanecarbonitrile CAS Name: 4-[4-(2-hydroxy-3-phenoxypropyl)-1-piperazinyl]-1-phenyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-(2-hydroxy-3-phenoxypropyl)piperazin-1-yl]-1-phenylcyclohexane-1-carbonitrile Traditional Name: 4-[4-(2-hydroxy-3-phenoxy-propyl)piperazino]-1-phenyl-cyclohexanecarbonitrile Formula: C26H33N3O2 MolecularWeight: 419.55912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2CCN(CC2)CC(COC3=CC=CC=C3)O)(C#N)C4=CC=CC=C4

Isomeric SMILES

C1CC(CCC1N2CCN(CC2)CC(COC3=CC=CC=C3)O)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C26H33N3O2/c27-21-26(22-7-3-1-4-8-22)13-11-23(12-14-26)29-17-15-28(16-18-29)19-24(30)20-31-25-9-5-2-6-10-25/h1-10,23-24,30H,11-20H2