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

Systemtic Name: 5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-[1-(2-morpholin-4-ylpyridin-4-yl)carbonylpiperidin-4-yl]pyrazol-3-one Openeye Name: 5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-[1-(2-morpholinopyridine-4-carbonyl)-4-piperidyl]pyrazol-3-one CAS Name: 5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-[1-[[2-(4-morpholinyl)-4-pyridinyl]-oxomethyl]-4-piperidinyl]-3-pyrazolone IUPAC Name: 5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-[1-(2-morpholin-4-ylpyridine-4-carbonyl)piperidin-4-yl]pyrazol-3-one Traditional Name: 5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-[1-(2-morpholinoisonicotinoyl)-4-piperidyl]-2-pyrazolin-3-one Formula: C28H35N5O5 MolecularWeight: 521.608

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=NN(C1=O)C2CCN(CC2)C(=O)C3=CC(=NC=C3)N4CCOCC4)C5=CC(=C(C=C5)OC)OC)C

Isomeric SMILES

CC1(C(=NN(C1=O)C2CCN(CC2)C(=O)C3=CC(=NC=C3)N4CCOCC4)C5=CC(=C(C=C5)OC)OC)C

InChI

InChI=1S/C28H35N5O5/c1-28(2)25(19-5-6-22(36-3)23(17-19)37-4)30-33(27(28)35)21-8-11-32(12-9-21)26(34)20-7-10-29-24(18-20)31-13-15-38-16-14-31/h5-7,10,17-18,21H,8-9,11-16H2,1-4H3