3-[4-(5-chloranyl-2-oxidanyl-phenyl)piperazin-1-yl]-1-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)propan-1-one hydrochloride

Systemtic Name: 3-[4-(5-chloranyl-2-oxidanyl-phenyl)piperazin-1-yl]-1-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)propan-1-one hydrochloride Openeye Name: 3-[4-(5-chloro-2-hydroxy-phenyl)piperazin-1-yl]-1-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)propan-1-one hydrochloride CAS Name: 3-[4-(5-chloro-2-hydroxyphenyl)-1-piperazinyl]-1-[5-methyl-1-(2-pyrimidinyl)-4-pyrazolyl]-1-propanone hydrochloride IUPAC Name: 3-[4-(5-chloro-2-hydroxyphenyl)piperazin-1-yl]-1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)propan-1-one hydrochloride Traditional Name: 3-[4-(5-chloro-2-hydroxy-phenyl)piperazino]-1-[5-methyl-1-(2-pyrimidyl)pyrazol-4-yl]propan-1-one hydrochloride Formula: C21H24Cl2N6O2 MolecularWeight: 463.36026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC=N2)C(=O)CCN3CCN(CC3)C4=C(C=CC(=C4)Cl)O.Cl

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC=N2)C(=O)CCN3CCN(CC3)C4=C(C=CC(=C4)Cl)O.Cl

InChI

InChI=1S/C21H23ClN6O2.ClH/c1-15-17(14-25-28(15)21-23-6-2-7-24-21)19(29)5-8-26-9-11-27(12-10-26)18-13-16(22)3-4-20(18)30;/h2-4,6-7,13-14,30H,5,8-12H2,1H3;1H