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

Systemtic Name: 1-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)-3-[4-(3-nitrophenyl)piperazin-1-yl]propan-1-one hydrochloride Openeye Name: 1-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)-3-[4-(3-nitrophenyl)piperazin-1-yl]propan-1-one hydrochloride CAS Name: 1-[5-methyl-1-(2-pyrimidinyl)-4-pyrazolyl]-3-[4-(3-nitrophenyl)-1-piperazinyl]-1-propanone hydrochloride IUPAC Name: 1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)-3-[4-(3-nitrophenyl)piperazin-1-yl]propan-1-one hydrochloride Traditional Name: 1-[5-methyl-1-(2-pyrimidyl)pyrazol-4-yl]-3-[4-(3-nitrophenyl)piperazino]propan-1-one hydrochloride Formula: C21H24ClN7O3 MolecularWeight: 457.91336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC=N2)C(=O)CCN3CCN(CC3)C4=CC(=CC=C4)[N+](=O)[O-].Cl

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC=N2)C(=O)CCN3CCN(CC3)C4=CC(=CC=C4)[N+](=O)[O-].Cl

InChI

InChI=1S/C21H23N7O3.ClH/c1-16-19(15-24-27(16)21-22-7-3-8-23-21)20(29)6-9-25-10-12-26(13-11-25)17-4-2-5-18(14-17)28(30)31;/h2-5,7-8,14-15H,6,9-13H2,1H3;1H