4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-7-fluoranyl-3,4-dihydro-1H-quinolin-2-one

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-7-fluoranyl-3,4-dihydro-1H-quinolin-2-one Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one Traditional Name: 7-fluoro-4-(4-piperonylpiperazine-1-carbonyl)-3,4-dihydrocarbostyril Formula: C22H22FN3O4 MolecularWeight: 411.426183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4CC(=O)NC5=C4C=CC(=C5)F

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4CC(=O)NC5=C4C=CC(=C5)F

InChI

InChI=1S/C22H22FN3O4/c23-15-2-3-16-17(11-21(27)24-18(16)10-15)22(28)26-7-5-25(6-8-26)12-14-1-4-19-20(9-14)30-13-29-19/h1-4,9-10,17H,5-8,11-13H2,(H,24,27)