5-azanyl-7-(4-azanyl-3,3,5-trimethyl-piperidin-1-yl)-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-7-(4-azanyl-3,3,5-trimethyl-piperidin-1-yl)-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-(4-amino-3,3,5-trimethyl-1-piperidyl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-(4-amino-3,3,5-trimethyl-1-piperidinyl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-(4-amino-3,3,5-trimethylpiperidin-1-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-(4-amino-3,3,5-trimethyl-piperidino)-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C22H29FN4O4 MolecularWeight: 432.488463

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(C1N)(C)C)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)OC

Isomeric SMILES

CC1CN(CC(C1N)(C)C)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)OC

InChI

InChI=1S/C22H29FN4O4/c1-10-7-26(9-22(2,3)20(10)25)17-14(23)15(24)13-16(19(17)31-4)27(11-5-6-11)8-12(18(13)28)21(29)30/h8,10-11,20H,5-7,9,24-25H2,1-4H3,(H,29,30)