N-(4-butoxyphenyl)-6-fluoranyl-2-methyl-quinoline-3-carboxamide

Systemtic Name: N-(4-butoxyphenyl)-6-fluoranyl-2-methyl-quinoline-3-carboxamide Openeye Name: N-(4-butoxyphenyl)-6-fluoro-2-methyl-quinoline-3-carboxamide CAS Name: N-(4-butoxyphenyl)-6-fluoro-2-methyl-3-quinolinecarboxamide IUPAC Name: N-(4-butoxyphenyl)-6-fluoro-2-methylquinoline-3-carboxamide Traditional Name: N-(4-butoxyphenyl)-6-fluoro-2-methyl-quinoline-3-carboxamide Formula: C21H21FN2O2 MolecularWeight: 352.402043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C2=C(N=C3C=CC(=CC3=C2)F)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C2=C(N=C3C=CC(=CC3=C2)F)C

InChI

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