3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-7-(4-ethanoylpiperazin-1-yl)-1-ethyl-6-fluoranyl-quinolin-4-one

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-7-(4-ethanoylpiperazin-1-yl)-1-ethyl-6-fluoranyl-quinolin-4-one Openeye Name: 7-(4-acetylpiperazin-1-yl)-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-ethyl-6-fluoro-quinolin-4-one CAS Name: 7-(4-acetyl-1-piperazinyl)-3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-ethyl-6-fluoro-4-quinolinone IUPAC Name: 7-(4-acetylpiperazin-1-yl)-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-ethyl-6-fluoroquinolin-4-one Traditional Name: 7-(4-acetylpiperazino)-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-ethyl-6-fluoro-4-quinolone Formula: C27H29FN4O3 MolecularWeight: 476.542563

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C)F)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C)F)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C27H29FN4O3/c1-3-29-17-22(27(35)32-9-8-19-6-4-5-7-20(19)16-32)26(34)21-14-23(28)25(15-24(21)29)31-12-10-30(11-13-31)18(2)33/h4-7,14-15,17H,3,8-13,16H2,1-2H3