7-[(3-azanyl-2,2-dimethyl-propyl)amino]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(3-azanyl-2,2-dimethyl-propyl)amino]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(3-amino-2,2-dimethyl-propyl)amino]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(3-amino-2,2-dimethylpropyl)amino]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(3-amino-2,2-dimethylpropyl)amino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(3-amino-2,2-dimethyl-propyl)amino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C18H22FN3O3 MolecularWeight: 347.383983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN)CNC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F

Isomeric SMILES

CC(C)(CN)CNC1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3CC3)F

InChI

InChI=1S/C18H22FN3O3/c1-18(2,8-20)9-21-14-6-15-11(5-13(14)19)16(23)12(17(24)25)7-22(15)10-3-4-10/h5-7,10,21H,3-4,8-9,20H2,1-2H3,(H,24,25)