3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2,7,8-trimethyl-1H-quinolin-4-one

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2,7,8-trimethyl-1H-quinolin-4-one Openeye Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2,7,8-trimethyl-1H-quinolin-4-one CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-2,7,8-trimethyl-1H-quinolin-4-one IUPAC Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-2,7,8-trimethyl-1H-quinolin-4-one Traditional Name: 2,7,8-trimethyl-3-[(4-piperonylpiperazino)methyl]-4-quinolone Formula: C25H29N3O3 MolecularWeight: 419.51606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)C(=C(N2)C)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)C(=C(N2)C)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C25H29N3O3/c1-16-4-6-20-24(17(16)2)26-18(3)21(25(20)29)14-28-10-8-27(9-11-28)13-19-5-7-22-23(12-19)31-15-30-22/h4-7,12H,8-11,13-15H2,1-3H3,(H,26,29)