ethyl 5-(4-bromophenyl)-1-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(4-bromophenyl)-1-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxylate Openeye Name: ethyl 5-(4-bromophenyl)-1-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxylate CAS Name: 5-(4-bromophenyl)-1-[4-(methylcarbamoyl)phenyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-bromophenyl)-1-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxylate Traditional Name: 5-(4-bromophenyl)-1-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxylic acid ethyl ester Formula: C20H18BrN3O3 MolecularWeight: 428.27922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN3O3/c1-3-27-20(26)17-12-18(13-4-8-15(21)9-5-13)24(23-17)16-10-6-14(7-11-16)19(25)22-2/h4-12H,3H2,1-2H3,(H,22,25)