4-[(4-bromanylpyrazol-1-yl)methyl]-N-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethyl]benzamide

Systemtic Name: 4-[(4-bromanylpyrazol-1-yl)methyl]-N-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethyl]benzamide Openeye Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethyl]benzamide CAS Name: 4-[(4-bromo-1-pyrazolyl)methyl]-N-[2-(5-methyl-3-nitro-1-pyrazolyl)ethyl]benzamide IUPAC Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[2-(5-methyl-3-nitropyrazol-1-yl)ethyl]benzamide Traditional Name: 4-[(4-bromopyrazol-1-yl)methyl]-N-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethyl]benzamide Formula: C17H17BrN6O3 MolecularWeight: 433.25928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCNC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Br)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CCNC(=O)C2=CC=C(C=C2)CN3C=C(C=N3)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H17BrN6O3/c1-12-8-16(24(26)27)21-23(12)7-6-19-17(25)14-4-2-13(3-5-14)10-22-11-15(18)9-20-22/h2-5,8-9,11H,6-7,10H2,1H3,(H,19,25)