3-[4-[1-(1-oxidanylcyclohexyl)-2-piperazin-1-yl-ethyl]phenyl]benzenecarbonitrile

Systemtic Name: 3-[4-[1-(1-oxidanylcyclohexyl)-2-piperazin-1-yl-ethyl]phenyl]benzenecarbonitrile Openeye Name: 3-[4-[1-(1-hydroxycyclohexyl)-2-piperazin-1-yl-ethyl]phenyl]benzonitrile CAS Name: 3-[4-[1-(1-hydroxycyclohexyl)-2-(1-piperazinyl)ethyl]phenyl]benzonitrile IUPAC Name: 3-[4-[1-(1-hydroxycyclohexyl)-2-piperazin-1-ylethyl]phenyl]benzonitrile Traditional Name: 3-[4-[1-(1-hydroxycyclohexyl)-2-piperazino-ethyl]phenyl]benzonitrile Formula: C25H31N3O MolecularWeight: 389.53314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O/c26-18-20-5-4-6-23(17-20)21-7-9-22(10-8-21)24(19-28-15-13-27-14-16-28)25(29)11-2-1-3-12-25/h4-10,17,24,27,29H,1-3,11-16,19H2