2-(4-bromophenyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: 2-(4-bromophenyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)quinoline-4-carboxamide Openeye Name: 2-(4-bromophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)quinoline-4-carboxamide CAS Name: 2-(4-bromophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: 2-(4-bromophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: 2-(4-bromophenyl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)cinchoninamide Formula: C27H21BrN4O2 MolecularWeight: 513.38524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Br

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)Br

InChI

InChI=1S/C27H21BrN4O2/c1-17-25(27(34)32(31(17)2)20-8-4-3-5-9-20)30-26(33)22-16-24(18-12-14-19(28)15-13-18)29-23-11-7-6-10-21(22)23/h3-16H,1-2H3,(H,30,33)