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

Systemtic Name: 1-(3-methoxyphenyl)-4-[4-(phenylcarbonyl)piperazin-1-yl]cyclohexane-1-carbonitrile Openeye Name: 4-(4-benzoylpiperazin-1-yl)-1-(3-methoxyphenyl)cyclohexanecarbonitrile CAS Name: 4-(4-benzoyl-1-piperazinyl)-1-(3-methoxyphenyl)-1-cyclohexanecarbonitrile IUPAC Name: 4-(4-benzoylpiperazin-1-yl)-1-(3-methoxyphenyl)cyclohexane-1-carbonitrile Traditional Name: 4-(4-benzoylpiperazino)-1-(3-methoxyphenyl)cyclohexanecarbonitrile Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O2/c1-30-23-9-5-8-21(18-23)25(19-26)12-10-22(11-13-25)27-14-16-28(17-15-27)24(29)20-6-3-2-4-7-20/h2-9,18,22H,10-17H2,1H3