1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propan-1-one

Systemtic Name: 1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propan-1-one Openeye Name: 1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propan-1-one CAS Name: 1-[4-[(1,3-dimethyl-4-pyrazolyl)methyl]-1-piperazinyl]-2-methyl-3-(5-methyl-3-nitro-1-pyrazolyl)-1-propanone IUPAC Name: 1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propan-1-one Traditional Name: 1-[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazino]-2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propan-1-one Formula: C18H27N7O3 MolecularWeight: 389.45208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(C)C(=O)N2CCN(CC2)CC3=CN(N=C3C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CC(C)C(=O)N2CCN(CC2)CC3=CN(N=C3C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H27N7O3/c1-13(10-24-14(2)9-17(20-24)25(27)28)18(26)23-7-5-22(6-8-23)12-16-11-21(4)19-15(16)3/h9,11,13H,5-8,10,12H2,1-4H3