N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide

Systemtic Name: N-[(5-bromanyl-2-fluoranyl-phenyl)methyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-[(5-bromo-2-fluoro-phenyl)methyl]-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-[(5-bromo-2-fluorophenyl)methyl]-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-[(5-bromo-2-fluorophenyl)methyl]-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-(5-bromo-2-fluoro-benzyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C20H18BrFN4O3 MolecularWeight: 461.284323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCC3=C(C=CC(=C3)Br)F)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NCC3=C(C=CC(=C3)Br)F)C)[N+](=O)[O-]

InChI

InChI=1S/C20H18BrFN4O3/c1-12-19(26(28)29)13(2)25(24-12)11-14-3-5-15(6-4-14)20(27)23-10-16-9-17(21)7-8-18(16)22/h3-9H,10-11H2,1-2H3,(H,23,27)