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

Systemtic Name: 5-azanyl-7-(3-azanylazepan-1-yl)-1-cyclopropyl-6,8-bis(fluoranyl)-4H-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-(3-aminoazepan-1-yl)-1-cyclopropyl-6,8-difluoro-4H-quinoline-3-carboxylic acid CAS Name: 5-amino-7-(3-amino-1-azepanyl)-1-cyclopropyl-6,8-difluoro-4H-quinoline-3-carboxylic acid IUPAC Name: 5-amino-7-(3-aminoazepan-1-yl)-1-cyclopropyl-6,8-difluoro-4H-quinoline-3-carboxylic acid Traditional Name: 5-amino-7-(3-aminoazepan-1-yl)-1-cyclopropyl-6,8-difluoro-4H-quinoline-3-carboxylic acid Formula: C19H24F2N4O2 MolecularWeight: 378.416266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24F2N4O2/c20-14-16(23)13-7-10(19(26)27)8-25(12-4-5-12)17(13)15(21)18(14)24-6-2-1-3-11(22)9-24/h8,11-12H,1-7,9,22-23H2,(H,26,27)