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

Systemtic Name: 3-[2-(4-methylpiperazin-1-yl)-1-(1-oxidanylcyclohexyl)ethyl]benzenecarbonitrile Openeye Name: 3-[1-(1-hydroxycyclohexyl)-2-(4-methylpiperazin-1-yl)ethyl]benzonitrile CAS Name: 3-[1-(1-hydroxycyclohexyl)-2-(4-methyl-1-piperazinyl)ethyl]benzonitrile IUPAC Name: 3-[1-(1-hydroxycyclohexyl)-2-(4-methylpiperazin-1-yl)ethyl]benzonitrile Traditional Name: 3-[1-(1-hydroxycyclohexyl)-2-(4-methylpiperazino)ethyl]benzonitrile Formula: C20H29N3O MolecularWeight: 327.46376

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(C2=CC=CC(=C2)C#N)C3(CCCCC3)O

Isomeric SMILES

CN1CCN(CC1)CC(C2=CC=CC(=C2)C#N)C3(CCCCC3)O

InChI

InChI=1S/C20H29N3O/c1-22-10-12-23(13-11-22)16-19(20(24)8-3-2-4-9-20)18-7-5-6-17(14-18)15-21/h5-7,14,19,24H,2-4,8-13,16H2,1H3