(1-methyl-4-nitro-pyrazol-3-yl)-[2-(1-methylpyrazol-3-yl)azepan-1-yl]methanone

Systemtic Name: (1-methyl-4-nitro-pyrazol-3-yl)-[2-(1-methylpyrazol-3-yl)azepan-1-yl]methanone Openeye Name: (1-methyl-4-nitro-pyrazol-3-yl)-[2-(1-methylpyrazol-3-yl)azepan-1-yl]methanone CAS Name: (1-methyl-4-nitro-3-pyrazolyl)-[2-(1-methyl-3-pyrazolyl)-1-azepanyl]methanone IUPAC Name: (1-methyl-4-nitropyrazol-3-yl)-[2-(1-methylpyrazol-3-yl)azepan-1-yl]methanone Traditional Name: (1-methyl-4-nitro-pyrazol-3-yl)-[2-(1-methylpyrazol-3-yl)azepan-1-yl]methanone Formula: C15H20N6O3 MolecularWeight: 332.3577

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C2CCCCCN2C(=O)C3=NN(C=C3[N+](=O)[O-])C

Isomeric SMILES

CN1C=CC(=N1)C2CCCCCN2C(=O)C3=NN(C=C3[N+](=O)[O-])C

InChI

InChI=1S/C15H20N6O3/c1-18-9-7-11(16-18)12-6-4-3-5-8-20(12)15(22)14-13(21(23)24)10-19(2)17-14/h7,9-10,12H,3-6,8H2,1-2H3