5-hexyl-2-[3-[4-(4-methylpyridin-2-yl)piperazin-1-yl]propyl]-1-phenyl-pyrazol-3-one

Systemtic Name: 5-hexyl-2-[3-[4-(4-methylpyridin-2-yl)piperazin-1-yl]propyl]-1-phenyl-pyrazol-3-one Openeye Name: 5-hexyl-2-[3-[4-(4-methyl-2-pyridyl)piperazin-1-yl]propyl]-1-phenyl-pyrazol-3-one CAS Name: 5-hexyl-2-[3-[4-(4-methyl-2-pyridinyl)-1-piperazinyl]propyl]-1-phenyl-3-pyrazolone IUPAC Name: 5-hexyl-2-[3-[4-(4-methylpyridin-2-yl)piperazin-1-yl]propyl]-1-phenylpyrazol-3-one Traditional Name: 5-hexyl-2-[3-[4-(4-methyl-2-pyridyl)piperazino]propyl]-1-phenyl-3-pyrazolin-3-one Formula: C28H39N5O MolecularWeight: 461.64216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=O)N(N1C2=CC=CC=C2)CCCN3CCN(CC3)C4=NC=CC(=C4)C

Isomeric SMILES

CCCCCCC1=CC(=O)N(N1C2=CC=CC=C2)CCCN3CCN(CC3)C4=NC=CC(=C4)C

InChI

InChI=1S/C28H39N5O/c1-3-4-5-7-13-26-23-28(34)32(33(26)25-11-8-6-9-12-25)17-10-16-30-18-20-31(21-19-30)27-22-24(2)14-15-29-27/h6,8-9,11-12,14-15,22-23H,3-5,7,10,13,16-21H2,1-2H3