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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC=N2)C(=O)CCN3CCC(CC3)(C4=CC=C(C=C4)Cl)O.Cl

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC=N2)C(=O)CCN3CCC(CC3)(C4=CC=C(C=C4)Cl)O.Cl

InChI

InChI=1S/C22H24ClN5O2.ClH/c1-16-19(15-26-28(16)21-24-10-2-11-25-21)20(29)7-12-27-13-8-22(30,9-14-27)17-3-5-18(23)6-4-17;/h2-6,10-11,15,30H,7-9,12-14H2,1H3;1H