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

Systemtic Name: 7-(3-azanylazepan-1-yl)-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(3-aminoazepan-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(3-amino-1-azepanyl)-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(3-aminoazepan-1-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(3-aminoazepan-1-yl)-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C19H21F2N3O3 MolecularWeight: 377.385146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC(C1)N)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

C1CCN(CC(C1)N)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C19H21F2N3O3/c20-14-7-12-16(15(21)17(14)23-6-2-1-3-10(22)8-23)24(11-4-5-11)9-13(18(12)25)19(26)27/h7,9-11H,1-6,8,22H2,(H,26,27)