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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Br)C(=O)OCC

Isomeric SMILES

CCC1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Br)C(=O)OCC

InChI

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