N-[(4-chlorophenyl)methyl]-8-fluoranyl-6-(3-oxidanylbutyl)-4-oxidanylidene-1H-quinoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-8-fluoranyl-6-(3-oxidanylbutyl)-4-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-fluoro-6-(3-hydroxybutyl)-4-oxo-1H-quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-fluoro-6-(3-hydroxybutyl)-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-fluoro-6-(3-hydroxybutyl)-4-oxo-1H-quinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-fluoro-6-(3-hydroxybutyl)-4-keto-1H-quinoline-3-carboxamide Formula: C21H20ClFN2O3 MolecularWeight: 402.846503

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC(=C2C(=C1)C(=O)C(=CN2)C(=O)NCC3=CC=C(C=C3)Cl)F)O

Isomeric SMILES

CC(CCC1=CC(=C2C(=C1)C(=O)C(=CN2)C(=O)NCC3=CC=C(C=C3)Cl)F)O

InChI

InChI=1S/C21H20ClFN2O3/c1-12(26)2-3-14-8-16-19(18(23)9-14)24-11-17(20(16)27)21(28)25-10-13-4-6-15(22)7-5-13/h4-9,11-12,26H,2-3,10H2,1H3,(H,24,27)(H,25,28)