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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)N2CCN(CC2)CC3=CN(N=C3C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)N2CCN(CC2)CC3=CN(N=C3C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H27N7O3/c1-13-16(11-21(4)19-13)12-22-7-9-23(10-8-22)17(26)5-6-24-15(3)18(25(27)28)14(2)20-24/h11H,5-10,12H2,1-4H3