1-[4-[3-(3,4-dimethoxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxidanyl-ethanone

Systemtic Name: 1-[4-[3-(3,4-dimethoxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxidanyl-ethanone Openeye Name: 1-[4-[3-(3,4-dimethoxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-1-piperidyl]-2-hydroxy-ethanone CAS Name: 1-[4-[3-(3,4-dimethoxyphenyl)-4-(4-pyrimidinyl)-1H-pyrazol-5-yl]-1-piperidinyl]-2-hydroxyethanone IUPAC Name: 1-[4-[3-(3,4-dimethoxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone Traditional Name: 1-[4-[3-(3,4-dimethoxyphenyl)-4-(4-pyrimidyl)-1H-pyrazol-5-yl]piperidino]-2-hydroxy-ethanone Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NNC(=C2C3=NC=NC=C3)C4CCN(CC4)C(=O)CO)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NNC(=C2C3=NC=NC=C3)C4CCN(CC4)C(=O)CO)OC

InChI

InChI=1S/C22H25N5O4/c1-30-17-4-3-15(11-18(17)31-2)22-20(16-5-8-23-13-24-16)21(25-26-22)14-6-9-27(10-7-14)19(29)12-28/h3-5,8,11,13-14,28H,6-7,9-10,12H2,1-2H3,(H,25,26)