N-[1,3-benzodioxol-5-yl-(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]-2-methyl-propanamide

Systemtic Name: N-[1,3-benzodioxol-5-yl-(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]-2-methyl-propanamide Openeye Name: N-[1,3-benzodioxol-5-yl-(5-chloro-8-hydroxy-7-quinolyl)methyl]-2-methyl-propanamide CAS Name: N-[1,3-benzodioxol-5-yl-(5-chloro-8-hydroxy-7-quinolinyl)methyl]-2-methylpropanamide IUPAC Name: N-[1,3-benzodioxol-5-yl-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide Traditional Name: N-[1,3-benzodioxol-5-yl-(5-chloro-8-hydroxy-7-quinolyl)methyl]-2-methyl-propionamide Formula: C21H19ClN2O4 MolecularWeight: 398.83956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(C1=CC2=C(C=C1)OCO2)C3=CC(=C4C=CC=NC4=C3O)Cl

Isomeric SMILES

CC(C)C(=O)NC(C1=CC2=C(C=C1)OCO2)C3=CC(=C4C=CC=NC4=C3O)Cl

InChI

InChI=1S/C21H19ClN2O4/c1-11(2)21(26)24-18(12-5-6-16-17(8-12)28-10-27-16)14-9-15(22)13-4-3-7-23-19(13)20(14)25/h3-9,11,18,25H,10H2,1-2H3,(H,24,26)