methyl 4-azanyl-5-[(4-bromanyl-2-fluoranyl-phenyl)carbamoyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate

Systemtic Name: methyl 4-azanyl-5-[(4-bromanyl-2-fluoranyl-phenyl)carbamoyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate Openeye Name: methyl 4-amino-5-[(4-bromo-2-fluoro-phenyl)carbamoyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate CAS Name: 4-amino-5-[(4-bromo-2-fluoroanilino)-oxomethyl]-1-(4-methoxyphenyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-amino-5-[(4-bromo-2-fluorophenyl)carbamoyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylate Traditional Name: 4-amino-5-[(4-bromo-2-fluoro-phenyl)carbamoyl]-1-(4-methoxyphenyl)pyrazole-3-carboxylic acid methyl ester Formula: C19H16BrFN4O4 MolecularWeight: 463.257143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=C(C(=N2)C(=O)OC)N)C(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=C(C(=N2)C(=O)OC)N)C(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C19H16BrFN4O4/c1-28-12-6-4-11(5-7-12)25-17(15(22)16(24-25)19(27)29-2)18(26)23-14-8-3-10(20)9-13(14)21/h3-9H,22H2,1-2H3,(H,23,26)