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

Systemtic Name: N-[(4-chlorophenyl)methyl]-8-fluoranyl-4-oxidanylidene-6-[(E)-3-oxidanylidenebut-1-enyl]-1H-quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-fluoro-4-oxo-6-[(E)-3-oxobut-1-enyl]-1H-quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-fluoro-4-oxo-6-[(E)-3-oxobut-1-enyl]-1H-quinoline-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-fluoro-4-oxo-6-[(E)-3-oxobut-1-enyl]-1H-quinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-fluoro-4-keto-6-[(E)-3-ketobut-1-enyl]-1H-quinoline-3-carboxamide Formula: C21H16ClFN2O3 MolecularWeight: 398.814743

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=CC(=C2C(=C1)C(=O)C(=CN2)C(=O)NCC3=CC=C(C=C3)Cl)F

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClFN2O3/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/h2-9,11H,10H2,1H3,(H,24,27)(H,25,28)/b3-2+