N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1-ethyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1-ethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1-ethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[3-[(3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-1-ethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1-ethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1-ethyl-4-nitro-pyrazole-3-carboxamide Formula: C18H20N6O3 MolecularWeight: 368.3898

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=CC=CC(=C2)CN3C(=CC(=N3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=CC=CC(=C2)CN3C(=CC(=N3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O3/c1-4-22-11-16(24(26)27)17(21-22)18(25)19-15-7-5-6-14(9-15)10-23-13(3)8-12(2)20-23/h5-9,11H,4,10H2,1-3H3,(H,19,25)