N-butyl-8-(4-fluorophenyl)-2-methyl-quinoline-4-carboxamide

Systemtic Name: N-butyl-8-(4-fluorophenyl)-2-methyl-quinoline-4-carboxamide Openeye Name: N-butyl-8-(4-fluorophenyl)-2-methyl-quinoline-4-carboxamide CAS Name: N-butyl-8-(4-fluorophenyl)-2-methyl-4-quinolinecarboxamide IUPAC Name: N-butyl-8-(4-fluorophenyl)-2-methylquinoline-4-carboxamide Traditional Name: N-butyl-8-(4-fluorophenyl)-2-methyl-cinchoninamide Formula: C21H21FN2O MolecularWeight: 336.402643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC(=NC2=C1C=CC=C2C3=CC=C(C=C3)F)C

Isomeric SMILES

CCCCNC(=O)C1=CC(=NC2=C1C=CC=C2C3=CC=C(C=C3)F)C

InChI

InChI=1S/C21H21FN2O/c1-3-4-12-23-21(25)19-13-14(2)24-20-17(6-5-7-18(19)20)15-8-10-16(22)11-9-15/h5-11,13H,3-4,12H2,1-2H3,(H,23,25)