6-bromanyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: 6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: 6-bromo-N-[(1,5-dimethyl-4-pyrazolyl)methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-phenylquinoline-4-carboxamide Traditional Name: 6-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-phenyl-cinchoninamide Formula: C22H19BrN4O MolecularWeight: 435.31646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)CNC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=NN1C)CNC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C22H19BrN4O/c1-14-16(13-25-27(14)2)12-24-22(28)19-11-21(15-6-4-3-5-7-15)26-20-9-8-17(23)10-18(19)20/h3-11,13H,12H2,1-2H3,(H,24,28)