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

Systemtic Name: 2-[1-(3-chlorophenyl)carbonylpiperidin-4-yl]-5-(3,4-dimethoxyphenyl)-4,4-dimethyl-pyrazol-3-one Openeye Name: 2-[1-(3-chlorobenzoyl)-4-piperidyl]-5-(3,4-dimethoxyphenyl)-4,4-dimethyl-pyrazol-3-one CAS Name: 2-[1-[(3-chlorophenyl)-oxomethyl]-4-piperidinyl]-5-(3,4-dimethoxyphenyl)-4,4-dimethyl-3-pyrazolone IUPAC Name: 2-[1-(3-chlorobenzoyl)piperidin-4-yl]-5-(3,4-dimethoxyphenyl)-4,4-dimethylpyrazol-3-one Traditional Name: 2-[1-(3-chlorobenzoyl)-4-piperidyl]-5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-pyrazolin-3-one Formula: C25H28ClN3O4 MolecularWeight: 469.96052

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=NN(C1=O)C2CCN(CC2)C(=O)C3=CC(=CC=C3)Cl)C4=CC(=C(C=C4)OC)OC)C

Isomeric SMILES

CC1(C(=NN(C1=O)C2CCN(CC2)C(=O)C3=CC(=CC=C3)Cl)C4=CC(=C(C=C4)OC)OC)C

InChI

InChI=1S/C25H28ClN3O4/c1-25(2)22(16-8-9-20(32-3)21(15-16)33-4)27-29(24(25)31)19-10-12-28(13-11-19)23(30)17-6-5-7-18(26)14-17/h5-9,14-15,19H,10-13H2,1-4H3