N-[(4-chlorophenyl)methyl]-6-(4-oxidanylbutoxy)-4-oxidanylidene-1H-quinoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-(4-oxidanylbutoxy)-4-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-6-(4-hydroxybutoxy)-4-oxo-1H-quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-6-(4-hydroxybutoxy)-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-6-(4-hydroxybutoxy)-4-oxo-1H-quinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-6-(4-hydroxybutoxy)-4-keto-1H-quinoline-3-carboxamide Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O4/c22-15-5-3-14(4-6-15)12-24-21(27)18-13-23-19-8-7-16(11-17(19)20(18)26)28-10-2-1-9-25/h3-8,11,13,25H,1-2,9-10,12H2,(H,23,26)(H,24,27)