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

Systemtic Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3-methyl-2-oxidanyl-4-pyrimidin-2-yl-3H-pyrazol-4-yl)propan-1-one Openeye Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2-hydroxy-3-methyl-4-pyrimidin-2-yl-3H-pyrazol-4-yl)propan-1-one CAS Name: 3-[4-(3-chlorophenyl)-1-piperazinyl]-1-[2-hydroxy-3-methyl-4-(2-pyrimidinyl)-3H-pyrazol-4-yl]-1-propanone IUPAC Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]-1-(2-hydroxy-3-methyl-4-pyrimidin-2-yl-3H-pyrazol-4-yl)propan-1-one Traditional Name: 3-[4-(3-chlorophenyl)piperazino]-1-[1-hydroxy-5-methyl-4-(2-pyrimidyl)-2-pyrazolin-4-yl]propan-1-one Formula: C21H25ClN6O2 MolecularWeight: 428.9152

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C=NN1O)(C2=NC=CC=N2)C(=O)CCN3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1C(C=NN1O)(C2=NC=CC=N2)C(=O)CCN3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H25ClN6O2/c1-16-21(15-25-28(16)30,20-23-7-3-8-24-20)19(29)6-9-26-10-12-27(13-11-26)18-5-2-4-17(22)14-18/h2-5,7-8,14-16,30H,6,9-13H2,1H3