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

Systemtic Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]butan-1-one Openeye Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]butan-1-one CAS Name: 2-(5-methyl-3-nitro-1-pyrazolyl)-1-[4-[(1-methyl-4-pyrazolyl)methyl]-1-piperazinyl]-1-butanone IUPAC Name: 2-(5-methyl-3-nitropyrazol-1-yl)-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]butan-1-one Traditional Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-1-[4-[(1-methylpyrazol-4-yl)methyl]piperazino]butan-1-one Formula: C17H25N7O3 MolecularWeight: 375.4255

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N7O3/c1-4-15(23-13(2)9-16(19-23)24(26)27)17(25)22-7-5-21(6-8-22)12-14-10-18-20(3)11-14/h9-11,15H,4-8,12H2,1-3H3