6-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-N-[(4-chlorophenyl)methyl]-4-oxidanylidene-1H-quinoline-3-carboxamide

Systemtic Name: 6-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-N-[(4-chlorophenyl)methyl]-4-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-6-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-4-oxo-1H-quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-6-(1,3-dihydroxypropan-2-yloxymethyl)-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-6-(1,3-dihydroxypropan-2-yloxymethyl)-4-oxo-1H-quinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-6-[(2-hydroxy-1-methylol-ethoxy)methyl]-4-keto-1H-quinoline-3-carboxamide Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CNC3=C(C2=O)C=C(C=C3)COC(CO)CO)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CNC3=C(C2=O)C=C(C=C3)COC(CO)CO)Cl

InChI

InChI=1S/C21H21ClN2O5/c22-15-4-1-13(2-5-15)8-24-21(28)18-9-23-19-6-3-14(7-17(19)20(18)27)12-29-16(10-25)11-26/h1-7,9,16,25-26H,8,10-12H2,(H,23,27)(H,24,28)