2-[3-[4-(4-cyano-4-phenyl-cyclohexyl)piperazin-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile

Systemtic Name: 2-[3-[4-(4-cyano-4-phenyl-cyclohexyl)piperazin-1-yl]-2-oxidanyl-propoxy]benzenecarbonitrile Openeye Name: 2-[3-[4-(4-cyano-4-phenyl-cyclohexyl)piperazin-1-yl]-2-hydroxy-propoxy]benzonitrile CAS Name: 2-[3-[4-(4-cyano-4-phenylcyclohexyl)-1-piperazinyl]-2-hydroxypropoxy]benzonitrile IUPAC Name: 2-[3-[4-(4-cyano-4-phenylcyclohexyl)piperazin-1-yl]-2-hydroxypropoxy]benzonitrile Traditional Name: 2-[3-[4-(4-cyano-4-phenyl-cyclohexyl)piperazino]-2-hydroxy-propoxy]benzonitrile Formula: C27H32N4O2 MolecularWeight: 444.56858

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1N2CCN(CC2)CC(COC3=CC=CC=C3C#N)O)(C#N)C4=CC=CC=C4

Isomeric SMILES

C1CC(CCC1N2CCN(CC2)CC(COC3=CC=CC=C3C#N)O)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C27H32N4O2/c28-18-22-6-4-5-9-26(22)33-20-25(32)19-30-14-16-31(17-15-30)24-10-12-27(21-29,13-11-24)23-7-2-1-3-8-23/h1-9,24-25,32H,10-17,19-20H2