4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(1-methylpyrazol-3-yl)benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(1-methylpyrazol-3-yl)benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(1-methylpyrazol-3-yl)benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(1-methyl-3-pyrazolyl)benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(1-methylpyrazol-3-yl)benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(1-methylpyrazol-3-yl)benzamide Formula: C17H18N6O3 MolecularWeight: 354.36322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=NN(C=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=NN(C=C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O3/c1-11-16(23(25)26)12(2)22(19-11)10-13-4-6-14(7-5-13)17(24)18-15-8-9-21(3)20-15/h4-9H,10H2,1-3H3,(H,18,20,24)