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

Systemtic Name: 3-(1,3-benzodioxol-5-ylcarbonyl)-6-methyl-1-(phenylmethyl)quinolin-4-one Openeye Name: 3-(1,3-benzodioxole-5-carbonyl)-1-benzyl-6-methyl-quinolin-4-one CAS Name: 3-[1,3-benzodioxol-5-yl(oxo)methyl]-6-methyl-1-(phenylmethyl)-4-quinolinone IUPAC Name: 3-(1,3-benzodioxole-5-carbonyl)-1-benzyl-6-methylquinolin-4-one Traditional Name: 1-benzyl-6-methyl-3-piperonyloyl-4-quinolone Formula: C25H19NO4 MolecularWeight: 397.42266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C=C(C2=O)C(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N(C=C(C2=O)C(=O)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

InChI

InChI=1S/C25H19NO4/c1-16-7-9-21-19(11-16)25(28)20(14-26(21)13-17-5-3-2-4-6-17)24(27)18-8-10-22-23(12-18)30-15-29-22/h2-12,14H,13,15H2,1H3