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

Systemtic Name: ethyl 1-[4-[(4-bromanyl-2-methyl-phenyl)carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-[(4-bromo-2-methyl-phenyl)carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[4-[(4-bromo-2-methylanilino)-oxomethyl]phenyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(4-bromo-2-methylphenyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate Traditional Name: 1-[4-[(4-bromo-2-methyl-phenyl)carbamoyl]phenyl]-5-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H20BrN3O3 MolecularWeight: 442.3058

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrN3O3/c1-4-28-21(27)18-12-23-25(14(18)3)17-8-5-15(6-9-17)20(26)24-19-10-7-16(22)11-13(19)2/h5-12H,4H2,1-3H3,(H,24,26)