1-[2-[2,6-bis(azanyl)hexanoylamino]pyrrolidin-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-[2-[2,6-bis(azanyl)hexanoylamino]pyrrolidin-1-yl]-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-[2-(2,6-diaminohexanoylamino)pyrrolidin-1-yl]-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-[2-[(2,6-diamino-1-oxohexyl)amino]-1-pyrrolidinyl]-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-[2-(2,6-diaminohexanoylamino)pyrrolidin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-[2-(2,6-diaminohexanoylamino)pyrrolidino]-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C20H26FN5O4 MolecularWeight: 419.449943

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)N2C=C(C(=O)C3=C2C=CC(=C3)F)C(=O)O)NC(=O)C(CCCCN)N

Isomeric SMILES

C1CC(N(C1)N2C=C(C(=O)C3=C2C=CC(=C3)F)C(=O)O)NC(=O)C(CCCCN)N

InChI

InChI=1S/C20H26FN5O4/c21-12-6-7-16-13(10-12)18(27)14(20(29)30)11-26(16)25-9-3-5-17(25)24-19(28)15(23)4-1-2-8-22/h6-7,10-11,15,17H,1-5,8-9,22-23H2,(H,24,28)(H,29,30)