ethyl 4-bromanyl-1-[4-(1,2-diphenylethylcarbamoyl)phenyl]-5-methyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 4-bromanyl-1-[4-(1,2-diphenylethylcarbamoyl)phenyl]-5-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 4-bromo-1-[4-(1,2-diphenylethylcarbamoyl)phenyl]-5-methyl-pyrazole-3-carboxylate CAS Name: 4-bromo-1-[4-[(1,2-diphenylethylamino)-oxomethyl]phenyl]-5-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-1-[4-(1,2-diphenylethylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxylate Traditional Name: 4-bromo-1-[4-(1,2-diphenylethylcarbamoyl)phenyl]-5-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C28H26BrN3O3 MolecularWeight: 532.42834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1Br)C)C2=CC=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1Br)C)C2=CC=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H26BrN3O3/c1-3-35-28(34)26-25(29)19(2)32(31-26)23-16-14-22(15-17-23)27(33)30-24(21-12-8-5-9-13-21)18-20-10-6-4-7-11-20/h4-17,24H,3,18H2,1-2H3,(H,30,33)