1-(3-methoxyphenyl)-4-[4-(phenylmethyl)piperazin-1-yl]cyclohexane-1-carbonitrile

Systemtic Name: 1-(3-methoxyphenyl)-4-[4-(phenylmethyl)piperazin-1-yl]cyclohexane-1-carbonitrile Openeye Name: 4-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)cyclohexanecarbonitrile CAS Name: 1-(3-methoxyphenyl)-4-[4-(phenylmethyl)-1-piperazinyl]-1-cyclohexanecarbonitrile IUPAC Name: 4-(4-benzylpiperazin-1-yl)-1-(3-methoxyphenyl)cyclohexane-1-carbonitrile Traditional Name: 4-(4-benzylpiperazino)-1-(3-methoxyphenyl)cyclohexanecarbonitrile Formula: C25H31N3O MolecularWeight: 389.53314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2(CCC(CC2)N3CCN(CC3)CC4=CC=CC=C4)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2(CCC(CC2)N3CCN(CC3)CC4=CC=CC=C4)C#N

InChI

InChI=1S/C25H31N3O/c1-29-24-9-5-8-22(18-24)25(20-26)12-10-23(11-13-25)28-16-14-27(15-17-28)19-21-6-3-2-4-7-21/h2-9,18,23H,10-17,19H2,1H3