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

Systemtic Name: 4-[4-[3-(2-methoxyphenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-1-phenyl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-1-phenyl-cyclohexanecarbonitrile CAS Name: 4-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-1-piperazinyl]-1-phenyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]-1-phenylcyclohexane-1-carbonitrile Traditional Name: 4-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazino]-1-phenyl-cyclohexanecarbonitrile Formula: C27H35N3O3 MolecularWeight: 449.5851

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC(CN2CCN(CC2)C3CCC(CC3)(C#N)C4=CC=CC=C4)O

Isomeric SMILES

COC1=CC=CC=C1OCC(CN2CCN(CC2)C3CCC(CC3)(C#N)C4=CC=CC=C4)O

InChI

InChI=1S/C27H35N3O3/c1-32-25-9-5-6-10-26(25)33-20-24(31)19-29-15-17-30(18-16-29)23-11-13-27(21-28,14-12-23)22-7-3-2-4-8-22/h2-10,23-24,31H,11-20H2,1H3