3-[(4-chlorophenyl)-(4-cyclohexylcarbonylpiperazin-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(4-chlorophenyl)-(4-cyclohexylcarbonylpiperazin-1-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(4-chlorophenyl)-[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 3-[(4-chlorophenyl)-[4-[cyclohexyl(oxo)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[(4-chlorophenyl)-[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[(4-chlorophenyl)-[4-(cyclohexanecarbonyl)piperazino]methyl]benzonitrile Formula: C25H28ClN3O MolecularWeight: 421.96232

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCN(CC2)C(C3=CC=C(C=C3)Cl)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCN(CC2)C(C3=CC=C(C=C3)Cl)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C25H28ClN3O/c26-23-11-9-20(10-12-23)24(22-8-4-5-19(17-22)18-27)28-13-15-29(16-14-28)25(30)21-6-2-1-3-7-21/h4-5,8-12,17,21,24H,1-3,6-7,13-16H2