5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-(1-quinolin-4-ylcarbonylpiperidin-4-yl)pyrazol-3-one

Systemtic Name: 5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-(1-quinolin-4-ylcarbonylpiperidin-4-yl)pyrazol-3-one Openeye Name: 5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-[1-(quinoline-4-carbonyl)-4-piperidyl]pyrazol-3-one CAS Name: 5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-[1-[oxo(4-quinolinyl)methyl]-4-piperidinyl]-3-pyrazolone IUPAC Name: 5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-[1-(quinoline-4-carbonyl)piperidin-4-yl]pyrazol-3-one Traditional Name: 2-(1-cinchoninoyl-4-piperidyl)-5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-pyrazolin-3-one Formula: C28H30N4O4 MolecularWeight: 486.5622

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=NN(C1=O)C2CCN(CC2)C(=O)C3=CC=NC4=CC=CC=C34)C5=CC(=C(C=C5)OC)OC)C

Isomeric SMILES

CC1(C(=NN(C1=O)C2CCN(CC2)C(=O)C3=CC=NC4=CC=CC=C34)C5=CC(=C(C=C5)OC)OC)C

InChI

InChI=1S/C28H30N4O4/c1-28(2)25(18-9-10-23(35-3)24(17-18)36-4)30-32(27(28)34)19-12-15-31(16-13-19)26(33)21-11-14-29-22-8-6-5-7-20(21)22/h5-11,14,17,19H,12-13,15-16H2,1-4H3