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

Systemtic Name: ethyl 2-[(4-bromophenyl)-ethanoyl-carbamoyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate Openeye Name: ethyl 2-[acetyl-(4-bromophenyl)carbamoyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate CAS Name: 2-[(N-acetyl-4-bromoanilino)-oxomethyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[acetyl-(4-bromophenyl)carbamoyl]-5-(4-chlorophenyl)-4-methyl-3H-pyrazole-4-carboxylate Traditional Name: 1-[acetyl-(4-bromophenyl)carbamoyl]-3-(4-chlorophenyl)-4-methyl-2-pyrazoline-4-carboxylic acid ethyl ester Formula: C22H21BrClN3O4 MolecularWeight: 506.77684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrClN3O4/c1-4-31-20(29)22(3)13-26(25-19(22)15-5-9-17(24)10-6-15)21(30)27(14(2)28)18-11-7-16(23)8-12-18/h5-12H,4,13H2,1-3H3