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

Systemtic Name: N-[1,3-benzodioxol-5-yl-(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]-2-phenyl-ethanamide Openeye Name: N-[1,3-benzodioxol-5-yl-(5-chloro-8-hydroxy-7-quinolyl)methyl]-2-phenyl-acetamide CAS Name: N-[1,3-benzodioxol-5-yl-(5-chloro-8-hydroxy-7-quinolinyl)methyl]-2-phenylacetamide IUPAC Name: N-[1,3-benzodioxol-5-yl-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-phenylacetamide Traditional Name: N-[1,3-benzodioxol-5-yl-(5-chloro-8-hydroxy-7-quinolyl)methyl]-2-phenyl-acetamide Formula: C25H19ClN2O4 MolecularWeight: 446.88236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(C3=CC(=C4C=CC=NC4=C3O)Cl)NC(=O)CC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(C3=CC(=C4C=CC=NC4=C3O)Cl)NC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C25H19ClN2O4/c26-19-13-18(25(30)24-17(19)7-4-10-27-24)23(16-8-9-20-21(12-16)32-14-31-20)28-22(29)11-15-5-2-1-3-6-15/h1-10,12-13,23,30H,11,14H2,(H,28,29)