7-[(2-azanylcyclopentyl)amino]-6-fluoranyl-1-(4-fluorophenyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[(2-azanylcyclopentyl)amino]-6-fluoranyl-1-(4-fluorophenyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[(2-aminocyclopentyl)amino]-6-fluoro-1-(4-fluorophenyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[(2-aminocyclopentyl)amino]-6-fluoro-1-(4-fluorophenyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[(2-aminocyclopentyl)amino]-6-fluoro-1-(4-fluorophenyl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[(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=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F)N

Isomeric SMILES

C1CC(C(C1)NC2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F)N

InChI

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