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

Systemtic Name: methyl 5-azanyl-1-[4-[(2-bromanyl-4-methyl-phenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[4-[(2-bromo-4-methyl-phenyl)carbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[(2-bromo-4-methylanilino)-oxomethyl]phenyl]-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[4-[(2-bromo-4-methylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[(2-bromo-4-methyl-phenyl)carbamoyl]phenyl]pyrazole-4-carboxylic acid methyl ester Formula: C19H17BrN4O3 MolecularWeight: 429.26728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OC)N)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)N3C(=C(C=N3)C(=O)OC)N)Br

InChI

InChI=1S/C19H17BrN4O3/c1-11-3-8-16(15(20)9-11)23-18(25)12-4-6-13(7-5-12)24-17(21)14(10-22-24)19(26)27-2/h3-10H,21H2,1-2H3,(H,23,25)