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

Systemtic Name: 3-(1,3-benzodioxol-5-ylcarbonyl)-1-[(4-chlorophenyl)methyl]-6-methyl-quinolin-4-one Openeye Name: 3-(1,3-benzodioxole-5-carbonyl)-1-[(4-chlorophenyl)methyl]-6-methyl-quinolin-4-one CAS Name: 3-[1,3-benzodioxol-5-yl(oxo)methyl]-1-[(4-chlorophenyl)methyl]-6-methyl-4-quinolinone IUPAC Name: 3-(1,3-benzodioxole-5-carbonyl)-1-[(4-chlorophenyl)methyl]-6-methylquinolin-4-one Traditional Name: 1-(4-chlorobenzyl)-6-methyl-3-piperonyloyl-4-quinolone Formula: C25H18ClNO4 MolecularWeight: 431.86772

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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=C(C=C5)Cl

Isomeric SMILES

CC1=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/C25H18ClNO4/c1-15-2-8-21-19(10-15)25(29)20(13-27(21)12-16-3-6-18(26)7-4-16)24(28)17-5-9-22-23(11-17)31-14-30-22/h2-11,13H,12,14H2,1H3