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

Systemtic Name: ethyl 2-[(4-bromophenyl)carbamoyl]-5-(4-chlorophenyl)-4-(2-methylprop-2-enyl)-3H-pyrazole-4-carboxylate Openeye Name: ethyl 2-[(4-bromophenyl)carbamoyl]-5-(4-chlorophenyl)-4-(2-methylallyl)-3H-pyrazole-4-carboxylate CAS Name: 2-[(4-bromoanilino)-oxomethyl]-5-(4-chlorophenyl)-4-(2-methylprop-2-enyl)-3H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromophenyl)carbamoyl]-5-(4-chlorophenyl)-4-(2-methylprop-2-enyl)-3H-pyrazole-4-carboxylate Traditional Name: 1-[(4-bromophenyl)carbamoyl]-3-(4-chlorophenyl)-4-(2-methylallyl)-2-pyrazoline-4-carboxylic acid ethyl ester Formula: C23H23BrClN3O3 MolecularWeight: 504.80402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Br)CC(=C)C

Isomeric SMILES

CCOC(=O)C1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Br)CC(=C)C

InChI

InChI=1S/C23H23BrClN3O3/c1-4-31-21(29)23(13-15(2)3)14-28(22(30)26-19-11-7-17(24)8-12-19)27-20(23)16-5-9-18(25)10-6-16/h5-12H,2,4,13-14H2,1,3H3,(H,26,30)