2-methyl-2-(4-nitropyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-methyl-2-(4-nitropyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 2-methyl-2-(4-nitropyrazol-1-yl)-1-[4-(3-pyridylmethyl)piperazin-1-yl]propan-1-one CAS Name: 2-methyl-2-(4-nitro-1-pyrazolyl)-1-[4-(3-pyridinylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 2-methyl-2-(4-nitropyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one Traditional Name: 2-methyl-2-(4-nitropyrazol-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:

CC(C)(C(=O)N1CCN(CC1)CC2=CN=CC=C2)N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(=O)N1CCN(CC1)CC2=CN=CC=C2)N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O3/c1-17(2,22-13-15(11-19-22)23(25)26)16(24)21-8-6-20(7-9-21)12-14-4-3-5-18-10-14/h3-5,10-11,13H,6-9,12H2,1-2H3