3-(1,3-benzodioxol-5-ylcarbonyl)-6-ethoxy-1-(phenylmethyl)quinolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylcarbonyl)-6-ethoxy-1-(phenylmethyl)quinolin-4-one Openeye Name: 3-(1,3-benzodioxole-5-carbonyl)-1-benzyl-6-ethoxy-quinolin-4-one CAS Name: 3-[1,3-benzodioxol-5-yl(oxo)methyl]-6-ethoxy-1-(phenylmethyl)-4-quinolinone IUPAC Name: 3-(1,3-benzodioxole-5-carbonyl)-1-benzyl-6-ethoxyquinolin-4-one Traditional Name: 1-benzyl-6-ethoxy-3-piperonyloyl-4-quinolone Formula: C26H21NO5 MolecularWeight: 427.44864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C=C(C2=O)C(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C=C(C2=O)C(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

InChI

InChI=1S/C26H21NO5/c1-2-30-19-9-10-22-20(13-19)26(29)21(15-27(22)14-17-6-4-3-5-7-17)25(28)18-8-11-23-24(12-18)32-16-31-23/h3-13,15H,2,14,16H2,1H3