N-(3-chlorophenyl)-1-ethanoyl-N-[3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]piperidine-4-carboxamide

Systemtic Name: N-(3-chlorophenyl)-1-ethanoyl-N-[3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]piperidine-4-carboxamide Openeye Name: 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(2-pyridylmethyl)piperazin-1-yl]propyl]piperidine-4-carboxamide CAS Name: 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(2-pyridinylmethyl)-1-piperazinyl]propyl]-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propyl]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(2-pyridylmethyl)piperazino]propyl]isonipecotamide Formula: C27H36ClN5O2 MolecularWeight: 498.06004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C(=O)N(CCCN2CCN(CC2)CC3=CC=CC=N3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(=O)N1CCC(CC1)C(=O)N(CCCN2CCN(CC2)CC3=CC=CC=N3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H36ClN5O2/c1-22(34)32-14-9-23(10-15-32)27(35)33(26-8-4-6-24(28)20-26)13-5-12-30-16-18-31(19-17-30)21-25-7-2-3-11-29-25/h2-4,6-8,11,20,23H,5,9-10,12-19,21H2,1H3