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

Systemtic Name: 5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-[1-(2-piperidin-1-ylpyridin-4-yl)carbonylpiperidin-4-yl]pyrazol-3-one Openeye Name: 5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-[1-[2-(1-piperidyl)pyridine-4-carbonyl]-4-piperidyl]pyrazol-3-one CAS Name: 5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-[1-[oxo-[2-(1-piperidinyl)-4-pyridinyl]methyl]-4-piperidinyl]-3-pyrazolone IUPAC Name: 5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-[1-(2-piperidin-1-ylpyridine-4-carbonyl)piperidin-4-yl]pyrazol-3-one Traditional Name: 5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-[1-(2-piperidinoisonicotinoyl)-4-piperidyl]-2-pyrazolin-3-one Formula: C29H37N5O4 MolecularWeight: 519.63518

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=NN(C1=O)C2CCN(CC2)C(=O)C3=CC(=NC=C3)N4CCCCC4)C5=CC(=C(C=C5)OC)OC)C

Isomeric SMILES

CC1(C(=NN(C1=O)C2CCN(CC2)C(=O)C3=CC(=NC=C3)N4CCCCC4)C5=CC(=C(C=C5)OC)OC)C

InChI

InChI=1S/C29H37N5O4/c1-29(2)26(20-8-9-23(37-3)24(18-20)38-4)31-34(28(29)36)22-11-16-33(17-12-22)27(35)21-10-13-30-25(19-21)32-14-6-5-7-15-32/h8-10,13,18-19,22H,5-7,11-12,14-17H2,1-4H3