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

Systemtic Name: 5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-[1-(2-methyl-5-oxidanyl-phenyl)carbonylpiperidin-4-yl]pyrazol-3-one Openeye Name: 5-(3,4-dimethoxyphenyl)-2-[1-(5-hydroxy-2-methyl-benzoyl)-4-piperidyl]-4,4-dimethyl-pyrazol-3-one CAS Name: 5-(3,4-dimethoxyphenyl)-2-[1-[(5-hydroxy-2-methylphenyl)-oxomethyl]-4-piperidinyl]-4,4-dimethyl-3-pyrazolone IUPAC Name: 5-(3,4-dimethoxyphenyl)-2-[1-(5-hydroxy-2-methylbenzoyl)piperidin-4-yl]-4,4-dimethylpyrazol-3-one Traditional Name: 5-(3,4-dimethoxyphenyl)-2-[1-(5-hydroxy-2-methyl-benzoyl)-4-piperidyl]-4,4-dimethyl-2-pyrazolin-3-one Formula: C26H31N3O5 MolecularWeight: 465.54144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)O)C(=O)N2CCC(CC2)N3C(=O)C(C(=N3)C4=CC(=C(C=C4)OC)OC)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)O)C(=O)N2CCC(CC2)N3C(=O)C(C(=N3)C4=CC(=C(C=C4)OC)OC)(C)C

InChI

InChI=1S/C26H31N3O5/c1-16-6-8-19(30)15-20(16)24(31)28-12-10-18(11-13-28)29-25(32)26(2,3)23(27-29)17-7-9-21(33-4)22(14-17)34-5/h6-9,14-15,18,30H,10-13H2,1-5H3