ethyl 3-(4-bromophenyl)carbonyl-1,5-diphenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 3-(4-bromophenyl)carbonyl-1,5-diphenyl-pyrazole-4-carboxylate Openeye Name: ethyl 3-(4-bromobenzoyl)-1,5-diphenyl-pyrazole-4-carboxylate CAS Name: 3-[(4-bromophenyl)-oxomethyl]-1,5-diphenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-bromobenzoyl)-1,5-diphenylpyrazole-4-carboxylate Traditional Name: 3-(4-bromobenzoyl)-1,5-diphenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C25H19BrN2O3 MolecularWeight: 475.33396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H19BrN2O3/c1-2-31-25(30)21-22(24(29)18-13-15-19(26)16-14-18)27-28(20-11-7-4-8-12-20)23(21)17-9-5-3-6-10-17/h3-16H,2H2,1H3