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

Systemtic Name: 1-[4-[3-(4-chloranyl-3-methoxy-phenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxidanyl-ethanone Openeye Name: 1-[4-[3-(4-chloro-3-methoxy-phenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-1-piperidyl]-2-hydroxy-ethanone CAS Name: 1-[4-[3-(4-chloro-3-methoxyphenyl)-4-(4-pyrimidinyl)-1H-pyrazol-5-yl]-1-piperidinyl]-2-hydroxyethanone IUPAC Name: 1-[4-[3-(4-chloro-3-methoxyphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone Traditional Name: 1-[4-[3-(4-chloro-3-methoxy-phenyl)-4-(4-pyrimidyl)-1H-pyrazol-5-yl]piperidino]-2-hydroxy-ethanone Formula: C21H22ClN5O3 MolecularWeight: 427.88408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN5O3/c1-30-17-10-14(2-3-15(17)22)21-19(16-4-7-23-12-24-16)20(25-26-21)13-5-8-27(9-6-13)18(29)11-28/h2-4,7,10,12-13,28H,5-6,8-9,11H2,1H3,(H,25,26)