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

Systemtic Name: ethyl 5-azanyl-1-[4-[(4-bromanyl-2-fluoranyl-phenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C19H16BrFN4O3 MolecularWeight: 447.257743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=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/C19H16BrFN4O3/c1-2-28-19(27)14-10-23-25(17(14)22)13-6-3-11(4-7-13)18(26)24-16-8-5-12(20)9-15(16)21/h3-10H,2,22H2,1H3,(H,24,26)