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

Systemtic Name: 5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-[1-(2-methyl-5-phenylmethoxy-phenyl)carbonylpiperidin-4-yl]pyrazol-3-one Openeye Name: 2-[1-(5-benzyloxy-2-methyl-benzoyl)-4-piperidyl]-5-(3,4-dimethoxyphenyl)-4,4-dimethyl-pyrazol-3-one CAS Name: 5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-[1-[(2-methyl-5-phenylmethoxyphenyl)-oxomethyl]-4-piperidinyl]-3-pyrazolone IUPAC Name: 5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-[1-(2-methyl-5-phenylmethoxybenzoyl)piperidin-4-yl]pyrazol-3-one Traditional Name: 2-[1-(5-benzoxy-2-methyl-benzoyl)-4-piperidyl]-5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-pyrazolin-3-one Formula: C33H37N3O5 MolecularWeight: 555.66398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC2=CC=CC=C2)C(=O)N3CCC(CC3)N4C(=O)C(C(=N4)C5=CC(=C(C=C5)OC)OC)(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC2=CC=CC=C2)C(=O)N3CCC(CC3)N4C(=O)C(C(=N4)C5=CC(=C(C=C5)OC)OC)(C)C

InChI

InChI=1S/C33H37N3O5/c1-22-11-13-26(41-21-23-9-7-6-8-10-23)20-27(22)31(37)35-17-15-25(16-18-35)36-32(38)33(2,3)30(34-36)24-12-14-28(39-4)29(19-24)40-5/h6-14,19-20,25H,15-18,21H2,1-5H3