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

Systemtic Name: 1-[4-[3-(3-chloranyl-4-methyl-phenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-oxidanyl-ethanone Openeye Name: 1-[4-[3-(3-chloro-4-methyl-phenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-1-piperidyl]-2-hydroxy-ethanone CAS Name: 1-[4-[3-(3-chloro-4-methylphenyl)-4-(4-pyrimidinyl)-1H-pyrazol-5-yl]-1-piperidinyl]-2-hydroxyethanone IUPAC Name: 1-[4-[3-(3-chloro-4-methylphenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxyethanone Traditional Name: 1-[4-[3-(3-chloro-4-methyl-phenyl)-4-(4-pyrimidyl)-1H-pyrazol-5-yl]piperidino]-2-hydroxy-ethanone Formula: C21H22ClN5O2 MolecularWeight: 411.88468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=C2C3=NC=NC=C3)C4CCN(CC4)C(=O)CO)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=C2C3=NC=NC=C3)C4CCN(CC4)C(=O)CO)Cl

InChI

InChI=1S/C21H22ClN5O2/c1-13-2-3-15(10-16(13)22)21-19(17-4-7-23-12-24-17)20(25-26-21)14-5-8-27(9-6-14)18(29)11-28/h2-4,7,10,12,14,28H,5-6,8-9,11H2,1H3,(H,25,26)