N-[2-(4-chlorophenyl)ethyl]-8-fluoranyl-4-oxidanylidene-7-(3-oxidanylprop-1-ynyl)-1H-quinoline-3-carboxamide

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-8-fluoranyl-4-oxidanylidene-7-(3-oxidanylprop-1-ynyl)-1H-quinoline-3-carboxamide Openeye Name: N-[2-(4-chlorophenyl)ethyl]-8-fluoro-7-(3-hydroxyprop-1-ynyl)-4-oxo-1H-quinoline-3-carboxamide CAS Name: N-[2-(4-chlorophenyl)ethyl]-8-fluoro-7-(3-hydroxyprop-1-ynyl)-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: N-[2-(4-chlorophenyl)ethyl]-8-fluoro-7-(3-hydroxyprop-1-ynyl)-4-oxo-1H-quinoline-3-carboxamide Traditional Name: N-[2-(4-chlorophenyl)ethyl]-8-fluoro-7-(3-hydroxyprop-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=C1CCNC(=O)C2=CNC3=C(C2=O)C=CC(=C3F)C#CCO)Cl

Isomeric SMILES

C1=CC(=CC=C1CCNC(=O)C2=CNC3=C(C2=O)C=CC(=C3F)C#CCO)Cl

InChI

InChI=1S/C21H16ClFN2O3/c22-15-6-3-13(4-7-15)9-10-24-21(28)17-12-25-19-16(20(17)27)8-5-14(18(19)23)2-1-11-26/h3-8,12,26H,9-11H2,(H,24,28)(H,25,27)