N-[2-(3-chlorophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-cyclohexane-1-carboxamide

Systemtic Name: N-[2-(3-chlorophenyl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-cyclohexane-1-carboxamide Openeye Name: N-[2-(3-chlorophenyl)ethyl]-2-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohexanecarboxamide CAS Name: N-[2-(3-chlorophenyl)ethyl]-2-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-1-cyclohexanecarboxamide IUPAC Name: N-[2-(3-chlorophenyl)ethyl]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide Traditional Name: N-[2-(3-chlorophenyl)ethyl]-2-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohexanecarboxamide Formula: C25H31ClN4O2 MolecularWeight: 454.99224

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCCC2=CC(=CC=C2)Cl)C(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C1CCC(C(C1)C(=O)NCCC2=CC(=CC=C2)Cl)C(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C25H31ClN4O2/c26-20-7-5-6-19(18-20)11-13-28-24(31)21-8-1-2-9-22(21)25(32)30-16-14-29(15-17-30)23-10-3-4-12-27-23/h3-7,10,12,18,21-22H,1-2,8-9,11,13-17H2,(H,28,31)