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

Systemtic Name: 1-[3-(4-chlorophenyl)-5-piperidin-4-yl-4-pyrimidin-4-yl-pyrazol-1-yl]-2-oxidanyl-ethanone hydrochloride Openeye Name: 1-[3-(4-chlorophenyl)-5-(4-piperidyl)-4-pyrimidin-4-yl-pyrazol-1-yl]-2-hydroxy-ethanone hydrochloride CAS Name: 1-[3-(4-chlorophenyl)-5-(4-piperidinyl)-4-(4-pyrimidinyl)-1-pyrazolyl]-2-hydroxyethanone hydrochloride IUPAC Name: 1-[3-(4-chlorophenyl)-5-piperidin-4-yl-4-pyrimidin-4-ylpyrazol-1-yl]-2-hydroxyethanone hydrochloride Traditional Name: 1-[3-(4-chlorophenyl)-5-(4-piperidyl)-4-(4-pyrimidyl)pyrazol-1-yl]-2-hydroxy-ethanone hydrochloride Formula: C20H21Cl2N5O2 MolecularWeight: 434.31904

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=C(C(=NN2C(=O)CO)C3=CC=C(C=C3)Cl)C4=NC=NC=C4.Cl

Isomeric SMILES

C1CNCCC1C2=C(C(=NN2C(=O)CO)C3=CC=C(C=C3)Cl)C4=NC=NC=C4.Cl

InChI

InChI=1S/C20H20ClN5O2.ClH/c21-15-3-1-13(2-4-15)19-18(16-7-10-23-12-24-16)20(14-5-8-22-9-6-14)26(25-19)17(28)11-27;/h1-4,7,10,12,14,22,27H,5-6,8-9,11H2;1H