6-bromanyl-2-(3,4-dimethylphenyl)-N-propyl-quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-2-(3,4-dimethylphenyl)-N-propyl-quinoline-4-carboxamide Openeye Name: 6-bromo-2-(3,4-dimethylphenyl)-N-propyl-quinoline-4-carboxamide CAS Name: 6-bromo-2-(3,4-dimethylphenyl)-N-propyl-4-quinolinecarboxamide IUPAC Name: 6-bromo-2-(3,4-dimethylphenyl)-N-propylquinoline-4-carboxamide Traditional Name: 6-bromo-2-(3,4-dimethylphenyl)-N-propyl-cinchoninamide Formula: C21H21BrN2O MolecularWeight: 397.30824

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCCNC(=O)C1=CC(=NC2=C1C=C(C=C2)Br)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C21H21BrN2O/c1-4-9-23-21(25)18-12-20(15-6-5-13(2)14(3)10-15)24-19-8-7-16(22)11-17(18)19/h5-8,10-12H,4,9H2,1-3H3,(H,23,25)