N-(4-butylphenyl)-6-fluoranyl-1-methyl-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: N-(4-butylphenyl)-6-fluoranyl-1-methyl-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-(4-butylphenyl)-6-fluoro-1-methyl-4-oxo-quinoline-3-carboxamide CAS Name: N-(4-butylphenyl)-6-fluoro-1-methyl-4-oxo-3-quinolinecarboxamide IUPAC Name: N-(4-butylphenyl)-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide Traditional Name: N-(4-butylphenyl)-6-fluoro-4-keto-1-methyl-quinoline-3-carboxamide Formula: C21H21FN2O2 MolecularWeight: 352.402043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=CN(C3=C(C2=O)C=C(C=C3)F)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=CN(C3=C(C2=O)C=C(C=C3)F)C

InChI

InChI=1S/C21H21FN2O2/c1-3-4-5-14-6-9-16(10-7-14)23-21(26)18-13-24(2)19-11-8-15(22)12-17(19)20(18)25/h6-13H,3-5H2,1-2H3,(H,23,26)