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

Systemtic Name: N-(3-chlorophenyl)-1-ethanoyl-N-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]piperidine-4-carboxamide Openeye Name: 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(3-pyridylmethyl)piperazin-1-yl]propyl]piperidine-4-carboxamide CAS Name: 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(3-pyridinylmethyl)-1-piperazinyl]propyl]-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(3-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=CN=CC=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(=O)N1CCC(CC1)C(=O)N(CCCN2CCN(CC2)CC3=CN=CC=C3)C4=CC(=CC=C4)Cl

InChI

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