N-(3-chlorophenyl)-1-ethanoyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-4-carboxamide

Systemtic Name: N-(3-chlorophenyl)-1-ethanoyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-4-carboxamide Openeye Name: 1-acetyl-N-(3-chlorophenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-4-carboxamide CAS Name: 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-(3-chlorophenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-(3-chlorophenyl)-N-[3-[4-(2-pyrimidyl)piperazino]propyl]isonipecotamide Formula: C25H33ClN6O2 MolecularWeight: 485.02152

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C(=O)N(CCCN2CCN(CC2)C3=NC=CC=N3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(=O)N1CCC(CC1)C(=O)N(CCCN2CCN(CC2)C3=NC=CC=N3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H33ClN6O2/c1-20(33)30-13-7-21(8-14-30)24(34)32(23-6-2-5-22(26)19-23)12-4-11-29-15-17-31(18-16-29)25-27-9-3-10-28-25/h2-3,5-6,9-10,19,21H,4,7-8,11-18H2,1H3