3-(1,3-benzodioxol-5-ylcarbonyl)-1-[(4-chlorophenyl)methyl]-6-ethoxy-quinolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylcarbonyl)-1-[(4-chlorophenyl)methyl]-6-ethoxy-quinolin-4-one Openeye Name: 3-(1,3-benzodioxole-5-carbonyl)-1-[(4-chlorophenyl)methyl]-6-ethoxy-quinolin-4-one CAS Name: 3-[1,3-benzodioxol-5-yl(oxo)methyl]-1-[(4-chlorophenyl)methyl]-6-ethoxy-4-quinolinone IUPAC Name: 3-(1,3-benzodioxole-5-carbonyl)-1-[(4-chlorophenyl)methyl]-6-ethoxyquinolin-4-one Traditional Name: 1-(4-chlorobenzyl)-6-ethoxy-3-piperonyloyl-4-quinolone Formula: C26H20ClNO5 MolecularWeight: 461.8937

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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=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H20ClNO5/c1-2-31-19-8-9-22-20(12-19)26(30)21(14-28(22)13-16-3-6-18(27)7-4-16)25(29)17-5-10-23-24(11-17)33-15-32-23/h3-12,14H,2,13,15H2,1H3