ethyl 5-[[2-(3-bromophenyl)quinolin-4-yl]carbonylamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[2-(3-bromophenyl)quinolin-4-yl]carbonylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[[2-(3-bromophenyl)-4-quinolinyl]-oxomethyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C28H21BrN4O3 MolecularWeight: 541.39534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br

InChI

InChI=1S/C28H21BrN4O3/c1-2-36-28(35)23-17-30-33(20-11-4-3-5-12-20)26(23)32-27(34)22-16-25(18-9-8-10-19(29)15-18)31-24-14-7-6-13-21(22)24/h3-17H,2H2,1H3,(H,32,34)