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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CN2CCN(CC2)C(=O)C(C)CN3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CCN1C=C(C(=N1)C)CN2CCN(CC2)C(=O)C(C)CN3C(=CC(=N3)[N+](=O)[O-])C

InChI

InChI=1S/C19H29N7O3/c1-5-24-13-17(16(4)20-24)12-22-6-8-23(9-7-22)19(27)14(2)11-25-15(3)10-18(21-25)26(28)29/h10,13-14H,5-9,11-12H2,1-4H3