5-azanyl-7-(3-azanylpiperidin-1-yl)-1-cyclopropyl-8-ethoxy-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-7-(3-azanylpiperidin-1-yl)-1-cyclopropyl-8-ethoxy-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-(3-amino-1-piperidyl)-1-cyclopropyl-8-ethoxy-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-(3-amino-1-piperidinyl)-1-cyclopropyl-8-ethoxy-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-(3-aminopiperidin-1-yl)-1-cyclopropyl-8-ethoxy-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-(3-aminopiperidino)-1-cyclopropyl-8-ethoxy-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C20H25FN4O4 MolecularWeight: 404.435303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)N)F)N4CCCC(C4)N

Isomeric SMILES

CCOC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)N)F)N4CCCC(C4)N

InChI

InChI=1S/C20H25FN4O4/c1-2-29-19-16-13(18(26)12(20(27)28)9-25(16)11-5-6-11)15(23)14(21)17(19)24-7-3-4-10(22)8-24/h9-11H,2-8,22-23H2,1H3,(H,27,28)