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

Systemtic Name: 3-(1,3-benzodioxol-5-ylcarbonyl)-6-methyl-1-[(4-methylphenyl)methyl]quinolin-4-one Openeye Name: 3-(1,3-benzodioxole-5-carbonyl)-6-methyl-1-(p-tolylmethyl)quinolin-4-one CAS Name: 3-[1,3-benzodioxol-5-yl(oxo)methyl]-6-methyl-1-[(4-methylphenyl)methyl]-4-quinolinone IUPAC Name: 3-(1,3-benzodioxole-5-carbonyl)-6-methyl-1-[(4-methylphenyl)methyl]quinolin-4-one Traditional Name: 6-methyl-1-(4-methylbenzyl)-3-piperonyloyl-4-quinolone Formula: C26H21NO4 MolecularWeight: 411.44924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=C(C(=O)C3=C2C=CC(=C3)C)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=C(C(=O)C3=C2C=CC(=C3)C)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H21NO4/c1-16-3-6-18(7-4-16)13-27-14-21(26(29)20-11-17(2)5-9-22(20)27)25(28)19-8-10-23-24(12-19)31-15-30-23/h3-12,14H,13,15H2,1-2H3