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

Systemtic Name: ethyl 2-[(4-bromophenyl)carbamoyl]-5-(4-chlorophenyl)-4-(phenylmethyl)-3H-pyrazole-4-carboxylate Openeye Name: ethyl 4-benzyl-2-[(4-bromophenyl)carbamoyl]-5-(4-chlorophenyl)-3H-pyrazole-4-carboxylate CAS Name: 2-[(4-bromoanilino)-oxomethyl]-5-(4-chlorophenyl)-4-(phenylmethyl)-3H-pyrazole-4-carboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-2-[(4-bromophenyl)carbamoyl]-5-(4-chlorophenyl)-3H-pyrazole-4-carboxylate Traditional Name: 4-benzyl-1-[(4-bromophenyl)carbamoyl]-3-(4-chlorophenyl)-2-pyrazoline-4-carboxylic acid ethyl ester Formula: C26H23BrClN3O3 MolecularWeight: 540.83612

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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)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CN(N=C1C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Br)CC4=CC=CC=C4

InChI

InChI=1S/C26H23BrClN3O3/c1-2-34-24(32)26(16-18-6-4-3-5-7-18)17-31(25(33)29-22-14-10-20(27)11-15-22)30-23(26)19-8-12-21(28)13-9-19/h3-15H,2,16-17H2,1H3,(H,29,33)