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

Systemtic Name: 1-[4-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxidanyl-ethanone Openeye Name: 2-hydroxy-1-[4-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-1-piperidyl]ethanone CAS Name: 2-hydroxy-1-[4-[3-(3-methoxyphenyl)-4-(4-pyrimidinyl)-1H-pyrazol-5-yl]-1-piperidinyl]ethanone IUPAC Name: 2-hydroxy-1-[4-[3-(3-methoxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanone Traditional Name: 2-hydroxy-1-[4-[3-(3-methoxyphenyl)-4-(4-pyrimidyl)-1H-pyrazol-5-yl]piperidino]ethanone Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O3/c1-29-16-4-2-3-15(11-16)21-19(17-5-8-22-13-23-17)20(24-25-21)14-6-9-26(10-7-14)18(28)12-27/h2-5,8,11,13-14,27H,6-7,9-10,12H2,1H3,(H,24,25)