6-bromanyl-N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: 6-bromo-N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: 6-bromo-N-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: 6-bromo-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-phenylquinoline-4-carboxamide Traditional Name: 6-bromo-N-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-2-phenyl-cinchoninamide Formula: C23H21BrN4O MolecularWeight: 449.34304

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CNC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

CCN1C=C(C(=N1)C)CNC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C23H21BrN4O/c1-3-28-14-17(15(2)27-28)13-25-23(29)20-12-22(16-7-5-4-6-8-16)26-21-10-9-18(24)11-19(20)21/h4-12,14H,3,13H2,1-2H3,(H,25,29)