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

Systemtic Name: 1-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butan-1-one Openeye Name: 1-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]-2-(5-methyl-3-nitro-pyrazol-1-yl)butan-1-one CAS Name: 1-[4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-piperazinyl]-2-(5-methyl-3-nitro-1-pyrazolyl)-1-butanone IUPAC Name: 1-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-(5-methyl-3-nitropyrazol-1-yl)butan-1-one Traditional Name: 1-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazino]-2-(5-methyl-3-nitro-pyrazol-1-yl)butan-1-one Formula: C19H29N7O3 MolecularWeight: 403.47866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N7O3/c1-5-17(25-14(3)11-18(21-25)26(28)29)19(27)23-9-7-22(8-10-23)12-16-13-24(6-2)20-15(16)4/h11,13,17H,5-10,12H2,1-4H3