3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-6-fluoranyl-1-methyl-quinolin-4-one

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-6-fluoranyl-1-methyl-quinolin-4-one Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-6-fluoro-1-methyl-quinolin-4-one CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-6-fluoro-1-methyl-4-quinolinone IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-6-fluoro-1-methylquinolin-4-one Traditional Name: 6-fluoro-1-methyl-3-(4-piperonylpiperazine-1-carbonyl)-4-quinolone Formula: C23H22FN3O4 MolecularWeight: 423.436883

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C=CC(=C2)F)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1C=C(C(=O)C2=C1C=CC(=C2)F)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H22FN3O4/c1-25-13-18(22(28)17-11-16(24)3-4-19(17)25)23(29)27-8-6-26(7-9-27)12-15-2-5-20-21(10-15)31-14-30-20/h2-5,10-11,13H,6-9,12,14H2,1H3