N-(4-phenylbutyl)-2-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-cyclohexane-1-carboxamide

Systemtic Name: N-(4-phenylbutyl)-2-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-cyclohexane-1-carboxamide Openeye Name: N-(4-phenylbutyl)-2-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohexanecarboxamide CAS Name: 2-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-N-(4-phenylbutyl)-1-cyclohexanecarboxamide IUPAC Name: N-(4-phenylbutyl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide Traditional Name: N-(4-phenylbutyl)-2-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohexanecarboxamide Formula: C27H36N4O2 MolecularWeight: 448.60034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCCCCC2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C1CCC(C(C1)C(=O)NCCCCC2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C27H36N4O2/c32-26(29-17-8-6-12-22-10-2-1-3-11-22)23-13-4-5-14-24(23)27(33)31-20-18-30(19-21-31)25-15-7-9-16-28-25/h1-3,7,9-11,15-16,23-24H,4-6,8,12-14,17-21H2,(H,29,32)