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

Systemtic Name: ethyl 2-[(4-bromophenyl)carbamoyl]-4,5-bis(4-chlorophenyl)-3H-pyrazole-4-carboxylate Openeye Name: ethyl 2-[(4-bromophenyl)carbamoyl]-4,5-bis(4-chlorophenyl)-3H-pyrazole-4-carboxylate CAS Name: 2-[(4-bromoanilino)-oxomethyl]-4,5-bis(4-chlorophenyl)-3H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-bromophenyl)carbamoyl]-4,5-bis(4-chlorophenyl)-3H-pyrazole-4-carboxylate Traditional Name: 1-[(4-bromophenyl)carbamoyl]-3,4-bis(4-chlorophenyl)-2-pyrazoline-4-carboxylic acid ethyl ester Formula: C25H20BrCl2N3O3 MolecularWeight: 561.2546

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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)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Br)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H20BrCl2N3O3/c1-2-34-23(32)25(17-5-11-20(28)12-6-17)15-31(24(33)29-21-13-7-18(26)8-14-21)30-22(25)16-3-9-19(27)10-4-16/h3-14H,2,15H2,1H3,(H,29,33)