N-[(4-chlorophenyl)methyl]-8-fluoranyl-6-(hydroxymethyl)-1-[3-(oxan-2-yloxy)propyl]-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-8-fluoranyl-6-(hydroxymethyl)-1-[3-(oxan-2-yloxy)propyl]-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-fluoro-6-(hydroxymethyl)-4-oxo-1-(3-tetrahydropyran-2-yloxypropyl)quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-fluoro-6-(hydroxymethyl)-1-[3-(2-oxanyloxy)propyl]-4-oxo-3-quinolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-fluoro-6-(hydroxymethyl)-1-[3-(oxan-2-yloxy)propyl]-4-oxoquinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-fluoro-4-keto-6-methylol-1-(3-tetrahydropyran-2-yloxypropyl)quinoline-3-carboxamide Formula: C26H28ClFN2O5 MolecularWeight: 502.962323

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Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCCCN2C=C(C(=O)C3=CC(=CC(=C32)F)CO)C(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCOC(C1)OCCCN2C=C(C(=O)C3=CC(=CC(=C32)F)CO)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H28ClFN2O5/c27-19-7-5-17(6-8-19)14-29-26(33)21-15-30(9-3-11-35-23-4-1-2-10-34-23)24-20(25(21)32)12-18(16-31)13-22(24)28/h5-8,12-13,15,23,31H,1-4,9-11,14,16H2,(H,29,33)