3-(5-methyl-3-nitro-pyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(5-methyl-3-nitro-pyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(5-methyl-3-nitro-pyrazol-1-yl)-1-[4-(3-pyridylmethyl)piperazin-1-yl]propan-1-one CAS Name: 3-(5-methyl-3-nitro-1-pyrazolyl)-1-[4-(3-pyridinylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(5-methyl-3-nitropyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(5-methyl-3-nitro-pyrazol-1-yl)-1-[4-(3-pyridylmethyl)piperazino]propan-1-one Formula: C17H22N6O3 MolecularWeight: 358.39498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCC(=O)N2CCN(CC2)CC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CCC(=O)N2CCN(CC2)CC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O3/c1-14-11-16(23(25)26)19-22(14)6-4-17(24)21-9-7-20(8-10-21)13-15-3-2-5-18-12-15/h2-3,5,11-12H,4,6-10,13H2,1H3