1-cyclopropyl-6-fluoranyl-7-[4-[(6-methoxy-1-oxidanylidene-3,4-dihydro-2H-naphthalen-2-yl)methyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[4-[(6-methoxy-1-oxidanylidene-3,4-dihydro-2H-naphthalen-2-yl)methyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[4-[(6-methoxy-1-oxo-tetralin-2-yl)methyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[4-[(6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[4-[(6-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[4-[(1-keto-6-methoxy-tetralin-2-yl)methyl]piperazino]quinoline-3-carboxylic acid Formula: C29H30FN3O5 MolecularWeight: 519.564003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)C(CC2)CN3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)C(CC2)CN3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F

InChI

InChI=1S/C29H30FN3O5/c1-38-20-6-7-21-17(12-20)2-3-18(27(21)34)15-31-8-10-32(11-9-31)26-14-25-22(13-24(26)30)28(35)23(29(36)37)16-33(25)19-4-5-19/h6-7,12-14,16,18-19H,2-5,8-11,15H2,1H3,(H,36,37)