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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCN(CC1)CC2=CN(N=C2C)C)N3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CCC(C(=O)N1CCN(CC1)CC2=CN(N=C2C)C)N3C(=CC(=N3)[N+](=O)[O-])C

InChI

InChI=1S/C18H27N7O3/c1-5-16(24-13(2)10-17(20-24)25(27)28)18(26)23-8-6-22(7-9-23)12-15-11-21(4)19-14(15)3/h10-11,16H,5-9,12H2,1-4H3