N-[(4-chlorophenyl)methyl]-8-fluoranyl-4-oxidanylidene-6-(5-oxidanylpent-1-ynyl)-1H-quinoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-8-fluoranyl-4-oxidanylidene-6-(5-oxidanylpent-1-ynyl)-1H-quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-fluoro-6-(5-hydroxypent-1-ynyl)-4-oxo-1H-quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-fluoro-6-(5-hydroxypent-1-ynyl)-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-fluoro-6-(5-hydroxypent-1-ynyl)-4-oxo-1H-quinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-fluoro-6-(5-hydroxypent-1-ynyl)-4-keto-1H-quinoline-3-carboxamide Formula: C22H18ClFN2O3 MolecularWeight: 412.841323

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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#CCCCO)Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClFN2O3/c23-16-7-5-14(6-8-16)12-26-22(29)18-13-25-20-17(21(18)28)10-15(11-19(20)24)4-2-1-3-9-27/h5-8,10-11,13,27H,1,3,9,12H2,(H,25,28)(H,26,29)