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

Systemtic Name: 4-[[(3S)-3-(4-methoxy-3,5-dimethyl-phenyl)carbonylpiperidin-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[(3S)-3-(4-methoxy-3,5-dimethyl-benzoyl)-1-piperidyl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[(3S)-3-[(4-methoxy-3,5-dimethylphenyl)-oxomethyl]-1-piperidinyl]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[(3S)-3-(4-methoxy-3,5-dimethylbenzoyl)piperidin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[(3S)-3-(4-methoxy-3,5-dimethyl-benzoyl)piperidino]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C)C(=O)C2CCCN(C2)CC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC(=CC(=C1OC)C)C(=O)[C@H]2CCCN(C2)CC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C27H33N3O3/c1-18-14-22(15-19(2)26(18)33-5)25(31)21-10-9-13-29(16-21)17-24-20(3)28(4)30(27(24)32)23-11-7-6-8-12-23/h6-8,11-12,14-15,21H,9-10,13,16-17H2,1-5H3/t21-/m0/s1