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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-1-ethyl-quinolin-4-one Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1-ethyl-quinolin-4-one CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-1-ethyl-4-quinolinone IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1-ethylquinolin-4-one Traditional Name: 1-ethyl-3-(4-piperonylpiperazine-1-carbonyl)-4-quinolone Formula: C24H25N3O4 MolecularWeight: 419.473

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC=CC=C21)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN1C=C(C(=O)C2=CC=CC=C21)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H25N3O4/c1-2-26-15-19(23(28)18-5-3-4-6-20(18)26)24(29)27-11-9-25(10-12-27)14-17-7-8-21-22(13-17)31-16-30-21/h3-8,13,15H,2,9-12,14,16H2,1H3