ethyl 2-[(4-bromophenyl)-methyl-carbamoyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate

Systemtic Name: ethyl 2-[(4-bromophenyl)-methyl-carbamoyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate Openeye Name: ethyl 2-[(4-bromophenyl)-methyl-carbamoyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate CAS Name: 2-[(4-bromo-N-methylanilino)-oxomethyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromophenyl)-methylcarbamoyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate Traditional Name: 1-[(4-bromophenyl)-methyl-carbamoyl]-3-(4-chlorophenyl)-4-methyl-2-pyrazoline-4-carboxylic acid ethyl ester Formula: C21H21BrClN3O3 MolecularWeight: 478.76674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)N(C)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CCOC(=O)C1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)N(C)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C21H21BrClN3O3/c1-4-29-19(27)21(2)13-26(24-18(21)14-5-9-16(23)10-6-14)20(28)25(3)17-11-7-15(22)8-12-17/h5-12H,4,13H2,1-3H3