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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C(=CC(=C2)C#CCO)F)C(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C=C(C(=O)C2=C1C(=CC(=C2)C#CCO)F)C(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H16ClFN2O3/c1-25-12-17(21(28)24-11-13-4-6-15(22)7-5-13)20(27)16-9-14(3-2-8-26)10-18(23)19(16)25/h4-7,9-10,12,26H,8,11H2,1H3,(H,24,28)