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

Systemtic Name: N-[3-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-1-ethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-1-ethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[3-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]phenyl]-1-ethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1-ethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[3-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]phenyl]-1-ethyl-4-nitro-pyrazole-3-carboxamide Formula: C18H19BrN6O3 MolecularWeight: 447.28586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19BrN6O3/c1-4-23-10-15(25(27)28)17(22-23)18(26)20-14-7-5-6-13(8-14)9-24-12(3)16(19)11(2)21-24/h5-8,10H,4,9H2,1-3H3,(H,20,26)