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

Systemtic Name: 1-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]-2-(4-nitropyrazol-1-yl)butan-1-one Openeye Name: 1-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]-2-(4-nitropyrazol-1-yl)butan-1-one CAS Name: 1-[4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-piperazinyl]-2-(4-nitro-1-pyrazolyl)-1-butanone IUPAC Name: 1-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-(4-nitropyrazol-1-yl)butan-1-one Traditional Name: 1-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazino]-2-(4-nitropyrazol-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)CC)N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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