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

Systemtic Name: 3-[4-[2-(4-methylpiperazin-1-yl)-1-(1-oxidanylcyclohexyl)ethyl]phenyl]benzenecarbonitrile Openeye Name: 3-[4-[1-(1-hydroxycyclohexyl)-2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzonitrile CAS Name: 3-[4-[1-(1-hydroxycyclohexyl)-2-(4-methyl-1-piperazinyl)ethyl]phenyl]benzonitrile IUPAC Name: 3-[4-[1-(1-hydroxycyclohexyl)-2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzonitrile Traditional Name: 3-[4-[1-(1-hydroxycyclohexyl)-2-(4-methylpiperazino)ethyl]phenyl]benzonitrile Formula: C26H33N3O MolecularWeight: 403.55972

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(C2=CC=C(C=C2)C3=CC=CC(=C3)C#N)C4(CCCCC4)O

Isomeric SMILES

CN1CCN(CC1)CC(C2=CC=C(C=C2)C3=CC=CC(=C3)C#N)C4(CCCCC4)O

InChI

InChI=1S/C26H33N3O/c1-28-14-16-29(17-15-28)20-25(26(30)12-3-2-4-13-26)23-10-8-22(9-11-23)24-7-5-6-21(18-24)19-27/h5-11,18,25,30H,2-4,12-17,20H2,1H3