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

Systemtic Name: 2-[(2-azanylcyclopentyl)amino]-6-fluoranyl-1-(4-fluorophenyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 2-[(2-aminocyclopentyl)amino]-6-fluoro-1-(4-fluorophenyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 2-[(2-aminocyclopentyl)amino]-6-fluoro-1-(4-fluorophenyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 2-[(2-aminocyclopentyl)amino]-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 2-[(2-aminocyclopentyl)amino]-6-fluoro-1-(4-fluorophenyl)-4-keto-quinoline-3-carboxylic acid Formula: C21H19F2N3O3 MolecularWeight: 399.390666

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1)NC2=C(C(=O)C3=C(N2C4=CC=C(C=C4)F)C=CC(=C3)F)C(=O)O)N

Isomeric SMILES

C1CC(C(C1)NC2=C(C(=O)C3=C(N2C4=CC=C(C=C4)F)C=CC(=C3)F)C(=O)O)N

InChI

InChI=1S/C21H19F2N3O3/c22-11-4-7-13(8-5-11)26-17-9-6-12(23)10-14(17)19(27)18(21(28)29)20(26)25-16-3-1-2-15(16)24/h4-10,15-16,25H,1-3,24H2,(H,28,29)