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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(CC2CNCCN2)C3=CC=C(C=C3)C4=CC=CC=C4C#N)O

Isomeric SMILES

C1CCC(CC1)(C(CC2CNCCN2)C3=CC=C(C=C3)C4=CC=CC=C4C#N)O

InChI

InChI=1S/C25H31N3O/c26-17-21-6-2-3-7-23(21)19-8-10-20(11-9-19)24(16-22-18-27-14-15-28-22)25(29)12-4-1-5-13-25/h2-3,6-11,22,24,27-29H,1,4-5,12-16,18H2