ethyl 4-(4-bromophenyl)-2-ethanoyl-3-(phenylcarbonyl)-3,4-dihydropyrazole-5-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-ethanoyl-3-(phenylcarbonyl)-3,4-dihydropyrazole-5-carboxylate Openeye Name: ethyl 2-acetyl-3-benzoyl-4-(4-bromophenyl)-3,4-dihydropyrazole-5-carboxylate CAS Name: 2-acetyl-3-benzoyl-4-(4-bromophenyl)-3,4-dihydropyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetyl-3-benzoyl-4-(4-bromophenyl)-3,4-dihydropyrazole-5-carboxylate Traditional Name: 1-acetyl-5-benzoyl-4-(4-bromophenyl)-2-pyrazoline-3-carboxylic acid ethyl ester Formula: C21H19BrN2O4 MolecularWeight: 443.29056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(C1C2=CC=C(C=C2)Br)C(=O)C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CCOC(=O)C1=NN(C(C1C2=CC=C(C=C2)Br)C(=O)C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C21H19BrN2O4/c1-3-28-21(27)18-17(14-9-11-16(22)12-10-14)19(24(23-18)13(2)25)20(26)15-7-5-4-6-8-15/h4-12,17,19H,3H2,1-2H3