2-[(2-azanylcyclohexyl)amino]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 2-[(2-azanylcyclohexyl)amino]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 2-[(2-aminocyclohexyl)amino]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 2-[(2-aminocyclohexyl)amino]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 2-[(2-aminocyclohexyl)amino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 2-[(2-aminocyclohexyl)amino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C19H22FN3O3 MolecularWeight: 359.394683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N)NC2=C(C(=O)C3=C(N2C4CC4)C=CC(=C3)F)C(=O)O

Isomeric SMILES

C1CCC(C(C1)N)NC2=C(C(=O)C3=C(N2C4CC4)C=CC(=C3)F)C(=O)O

InChI

InChI=1S/C19H22FN3O3/c20-10-5-8-15-12(9-10)17(24)16(19(25)26)18(23(15)11-6-7-11)22-14-4-2-1-3-13(14)21/h5,8-9,11,13-14,22H,1-4,6-7,21H2,(H,25,26)