N-(4-butoxyphenyl)-6-fluoranyl-2-methyl-quinoline-4-carboxamide

Systemtic Name: N-(4-butoxyphenyl)-6-fluoranyl-2-methyl-quinoline-4-carboxamide Openeye Name: N-(4-butoxyphenyl)-6-fluoro-2-methyl-quinoline-4-carboxamide CAS Name: N-(4-butoxyphenyl)-6-fluoro-2-methyl-4-quinolinecarboxamide IUPAC Name: N-(4-butoxyphenyl)-6-fluoro-2-methylquinoline-4-carboxamide Traditional Name: N-(4-butoxyphenyl)-6-fluoro-2-methyl-cinchoninamide Formula: C21H21FN2O2 MolecularWeight: 352.402043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)F)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)F)C

InChI

InChI=1S/C21H21FN2O2/c1-3-4-11-26-17-8-6-16(7-9-17)24-21(25)19-12-14(2)23-20-10-5-15(22)13-18(19)20/h5-10,12-13H,3-4,11H2,1-2H3,(H,24,25)