5-[2-(4-methylpiperazin-1-yl)-1-(1-oxidanylcyclohexyl)ethyl]-2-phenylmethoxy-benzenecarbonitrile

Systemtic Name: 5-[2-(4-methylpiperazin-1-yl)-1-(1-oxidanylcyclohexyl)ethyl]-2-phenylmethoxy-benzenecarbonitrile Openeye Name: 2-benzyloxy-5-[1-(1-hydroxycyclohexyl)-2-(4-methylpiperazin-1-yl)ethyl]benzonitrile CAS Name: 5-[1-(1-hydroxycyclohexyl)-2-(4-methyl-1-piperazinyl)ethyl]-2-phenylmethoxybenzonitrile IUPAC Name: 5-[1-(1-hydroxycyclohexyl)-2-(4-methylpiperazin-1-yl)ethyl]-2-phenylmethoxybenzonitrile Traditional Name: 2-benzoxy-5-[1-(1-hydroxycyclohexyl)-2-(4-methylpiperazino)ethyl]benzonitrile Formula: C27H35N3O2 MolecularWeight: 433.5857

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(C2=CC(=C(C=C2)OCC3=CC=CC=C3)C#N)C4(CCCCC4)O

Isomeric SMILES

CN1CCN(CC1)CC(C2=CC(=C(C=C2)OCC3=CC=CC=C3)C#N)C4(CCCCC4)O

InChI

InChI=1S/C27H35N3O2/c1-29-14-16-30(17-15-29)20-25(27(31)12-6-3-7-13-27)23-10-11-26(24(18-23)19-28)32-21-22-8-4-2-5-9-22/h2,4-5,8-11,18,25,31H,3,6-7,12-17,20-21H2,1H3