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

Systemtic Name: ethyl 2-[(4-bromophenyl)carbamoyl]-5-(4-chlorophenyl)-4-prop-2-enyl-3H-pyrazole-4-carboxylate Openeye Name: ethyl 4-allyl-2-[(4-bromophenyl)carbamoyl]-5-(4-chlorophenyl)-3H-pyrazole-4-carboxylate CAS Name: 2-[(4-bromoanilino)-oxomethyl]-5-(4-chlorophenyl)-4-prop-2-enyl-3H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromophenyl)carbamoyl]-5-(4-chlorophenyl)-4-prop-2-enyl-3H-pyrazole-4-carboxylate Traditional Name: 4-allyl-1-[(4-bromophenyl)carbamoyl]-3-(4-chlorophenyl)-2-pyrazoline-4-carboxylic acid ethyl ester Formula: C22H21BrClN3O3 MolecularWeight: 490.77744

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrClN3O3/c1-3-13-22(20(28)30-4-2)14-27(21(29)25-18-11-7-16(23)8-12-18)26-19(22)15-5-9-17(24)10-6-15/h3,5-12H,1,4,13-14H2,2H3,(H,25,29)