ethyl 1-[3-[(4-bromanyl-2-fluoranyl-phenyl)carbonylamino]phenyl]-5-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[3-[(4-bromanyl-2-fluoranyl-phenyl)carbonylamino]phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[3-[(4-bromo-2-fluoro-benzoyl)amino]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[3-[[(4-bromo-2-fluorophenyl)-oxomethyl]amino]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(4-bromo-2-fluorobenzoyl)amino]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[3-[(4-bromo-2-fluoro-benzoyl)amino]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C20H17BrFN3O3 MolecularWeight: 446.269683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)C3=C(C=C(C=C3)Br)F)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)C3=C(C=C(C=C3)Br)F)C

InChI

InChI=1S/C20H17BrFN3O3/c1-3-28-20(27)17-11-23-25(12(17)2)15-6-4-5-14(10-15)24-19(26)16-8-7-13(21)9-18(16)22/h4-11H,3H2,1-2H3,(H,24,26)