5-[1-(1-oxidanylcyclohexyl)-2-piperazin-1-yl-ethyl]-2-phenylmethoxy-benzenecarbonitrile

Systemtic Name: 5-[1-(1-oxidanylcyclohexyl)-2-piperazin-1-yl-ethyl]-2-phenylmethoxy-benzenecarbonitrile Openeye Name: 2-benzyloxy-5-[1-(1-hydroxycyclohexyl)-2-piperazin-1-yl-ethyl]benzonitrile CAS Name: 5-[1-(1-hydroxycyclohexyl)-2-(1-piperazinyl)ethyl]-2-phenylmethoxybenzonitrile IUPAC Name: 5-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]-2-phenylmethoxybenzonitrile Traditional Name: 2-benzoxy-5-[1-(1-hydroxycyclohexyl)-2-piperazino-ethyl]benzonitrile Formula: C26H33N3O2 MolecularWeight: 419.55912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(CN2CCNCC2)C3=CC(=C(C=C3)OCC4=CC=CC=C4)C#N)O

Isomeric SMILES

C1CCC(CC1)(C(CN2CCNCC2)C3=CC(=C(C=C3)OCC4=CC=CC=C4)C#N)O

InChI

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