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

Systemtic Name: 6-bromanyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: 6-bromo-N-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: 6-bromo-N-[(1-methyl-4-pyrazolyl)methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylquinoline-4-carboxamide Traditional Name: 6-bromo-N-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-cinchoninamide Formula: C21H17BrN4O MolecularWeight: 421.28988

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=N1)CNC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C21H17BrN4O/c1-26-13-14(12-24-26)11-23-21(27)18-10-20(15-5-3-2-4-6-15)25-19-8-7-16(22)9-17(18)19/h2-10,12-13H,11H2,1H3,(H,23,27)