1-cyclopropyl-3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoranyl-quinolin-4-one

Systemtic Name: 1-cyclopropyl-3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoranyl-quinolin-4-one Openeye Name: 1-cyclopropyl-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-quinolin-4-one CAS Name: 1-cyclopropyl-3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-7-(4-ethyl-1-piperazin-4-iumyl)-6-fluoro-4-quinolinone IUPAC Name: 1-cyclopropyl-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoroquinolin-4-one Traditional Name: 1-cyclopropyl-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-7-(4-ethylpiperazin-4-ium-1-yl)-6-fluoro-4-quinolone Formula: C28H32FN4O2+ MolecularWeight: 475.577683

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)N4CCC5=CC=CC=C5C4)C6CC6)F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)N4CCC5=CC=CC=C5C4)C6CC6)F

InChI

InChI=1S/C28H31FN4O2/c1-2-30-11-13-31(14-12-30)26-16-25-22(15-24(26)29)27(34)23(18-33(25)21-7-8-21)28(35)32-10-9-19-5-3-4-6-20(19)17-32/h3-6,15-16,18,21H,2,7-14,17H2,1H3/p+1