3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-1-methyl-quinolin-4-one

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-1-methyl-quinolin-4-one Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1-methyl-quinolin-4-one CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-1-methyl-4-quinolinone IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1-methylquinolin-4-one Traditional Name: 1-methyl-3-(4-piperonylpiperazine-1-carbonyl)-4-quinolone Formula: C23H23N3O4 MolecularWeight: 405.44642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=CC=CC=C21)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C=C(C(=O)C2=CC=CC=C21)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H23N3O4/c1-24-14-18(22(27)17-4-2-3-5-19(17)24)23(28)26-10-8-25(9-11-26)13-16-6-7-20-21(12-16)30-15-29-20/h2-7,12,14H,8-11,13,15H2,1H3