methyl 5-azanyl-1-[4-[(4-bromanyl-2-fluoranyl-phenyl)carbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-[4-[(4-bromanyl-2-fluoranyl-phenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-[(4-bromo-2-fluoro-phenyl)carbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[(4-bromo-2-fluoroanilino)-oxomethyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-[(4-bromo-2-fluorophenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[(4-bromo-2-fluoro-phenyl)carbamoyl]phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C18H14BrFN4O3 MolecularWeight: 433.231163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)F)N

Isomeric SMILES

COC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)F)N

InChI

InChI=1S/C18H14BrFN4O3/c1-27-18(26)13-9-22-24(16(13)21)12-5-2-10(3-6-12)17(25)23-15-7-4-11(19)8-14(15)20/h2-9H,21H2,1H3,(H,23,25)