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

Systemtic Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(3-pyridylmethyl)piperazin-1-yl]propan-1-one CAS Name: 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-[4-(3-pyridinylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-(3-pyridylmethyl)piperazino]propan-1-one Formula: C18H24N6O3 MolecularWeight: 372.42156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O3/c1-14-18(24(26)27)15(2)23(20-14)7-5-17(25)22-10-8-21(9-11-22)13-16-4-3-6-19-12-16/h3-4,6,12H,5,7-11,13H2,1-2H3