1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-methyl-2-oxidanyl-propan-1-one hydrochloride

Systemtic Name: 1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-methyl-2-oxidanyl-propan-1-one hydrochloride Openeye Name: 1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]-1-piperidyl]-2-hydroxy-2-methyl-propan-1-one hydrochloride CAS Name: 1-[4-[3-(4-chlorophenyl)-4-(4-pyrimidinyl)-1H-pyrazol-5-yl]-1-piperidinyl]-2-hydroxy-2-methyl-1-propanone hydrochloride IUPAC Name: 1-[4-[3-(4-chlorophenyl)-4-pyrimidin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]-2-hydroxy-2-methylpropan-1-one hydrochloride Traditional Name: 1-[4-[3-(4-chlorophenyl)-4-(4-pyrimidyl)-1H-pyrazol-5-yl]piperidino]-2-hydroxy-2-methyl-propan-1-one hydrochloride Formula: C22H25Cl2N5O2 MolecularWeight: 462.3722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCC(CC1)C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC=NC=C4)O.Cl

Isomeric SMILES

CC(C)(C(=O)N1CCC(CC1)C2=C(C(=NN2)C3=CC=C(C=C3)Cl)C4=NC=NC=C4)O.Cl

InChI

InChI=1S/C22H24ClN5O2.ClH/c1-22(2,30)21(29)28-11-8-15(9-12-28)20-18(17-7-10-24-13-25-17)19(26-27-20)14-3-5-16(23)6-4-14;/h3-7,10,13,15,30H,8-9,11-12H2,1-2H3,(H,26,27);1H