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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CNC3=C(C2=O)C=C(C=C3F)C#CCCO)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CNC3=C(C2=O)C=C(C=C3F)C#CCCO)Cl

InChI

InChI=1S/C21H16ClFN2O3/c22-15-6-4-13(5-7-15)11-25-21(28)17-12-24-19-16(20(17)27)9-14(10-18(19)23)3-1-2-8-26/h4-7,9-10,12,26H,2,8,11H2,(H,24,27)(H,25,28)