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

Systemtic Name: ethyl 5-azanyl-1-[4-[(4-bromanyl-3-methyl-phenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-[(4-bromo-3-methyl-phenyl)carbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[4-[(4-bromo-3-methylanilino)-oxomethyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-[(4-bromo-3-methylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[4-[(4-bromo-3-methyl-phenyl)carbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C20H19BrN4O3 MolecularWeight: 443.29386

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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=CC(=C(C=C3)Br)C)N

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN4O3/c1-3-28-20(27)16-11-23-25(18(16)22)15-7-4-13(5-8-15)19(26)24-14-6-9-17(21)12(2)10-14/h4-11H,3,22H2,1-2H3,(H,24,26)