4-[[3-(4-chloranyl-2-methyl-phenyl)carbonylpiperidin-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[3-(4-chloranyl-2-methyl-phenyl)carbonylpiperidin-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[3-(4-chloro-2-methyl-benzoyl)-1-piperidyl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[3-[(4-chloro-2-methylphenyl)-oxomethyl]-1-piperidinyl]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[3-(4-chloro-2-methylbenzoyl)piperidin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[3-(4-chloro-2-methyl-benzoyl)piperidino]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C25H28ClN3O2 MolecularWeight: 437.96172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(=O)C2CCCN(C2)CC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C(=O)C2CCCN(C2)CC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C25H28ClN3O2/c1-17-14-20(26)11-12-22(17)24(30)19-8-7-13-28(15-19)16-23-18(2)27(3)29(25(23)31)21-9-5-4-6-10-21/h4-6,9-12,14,19H,7-8,13,15-16H2,1-3H3