N-[1,3-benzodioxol-5-yl-(8-oxidanylquinolin-7-yl)methyl]-3-phenyl-propanamide

Systemtic Name: N-[1,3-benzodioxol-5-yl-(8-oxidanylquinolin-7-yl)methyl]-3-phenyl-propanamide Openeye Name: N-[1,3-benzodioxol-5-yl-(8-hydroxy-7-quinolyl)methyl]-3-phenyl-propanamide CAS Name: N-[1,3-benzodioxol-5-yl-(8-hydroxy-7-quinolinyl)methyl]-3-phenylpropanamide IUPAC Name: N-[1,3-benzodioxol-5-yl-(8-hydroxyquinolin-7-yl)methyl]-3-phenylpropanamide Traditional Name: N-[1,3-benzodioxol-5-yl-(8-hydroxy-7-quinolyl)methyl]-3-phenyl-propionamide Formula: C26H22N2O4 MolecularWeight: 426.46388

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C3=C(C4=C(C=CC=N4)C=C3)O)NC(=O)CCC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C3=C(C4=C(C=CC=N4)C=C3)O)NC(=O)CCC5=CC=CC=C5

InChI

InChI=1S/C26H22N2O4/c29-23(13-8-17-5-2-1-3-6-17)28-24(19-10-12-21-22(15-19)32-16-31-21)20-11-9-18-7-4-14-27-25(18)26(20)30/h1-7,9-12,14-15,24,30H,8,13,16H2,(H,28,29)