5-azanyl-7-(3-azanylazepan-1-yl)-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-7-(3-azanylazepan-1-yl)-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-(3-aminoazepan-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-(3-amino-1-azepanyl)-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-(3-aminoazepan-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-(3-aminoazepan-1-yl)-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C19H22F2N4O3 MolecularWeight: 392.399786

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC(C1)N)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)F

Isomeric SMILES

C1CCN(CC(C1)N)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)O)F

InChI

InChI=1S/C19H22F2N4O3/c20-13-15(23)12-16(14(21)17(13)24-6-2-1-3-9(22)7-24)25(10-4-5-10)8-11(18(12)26)19(27)28/h8-10H,1-7,22-23H2,(H,27,28)