7-[3-(cyclohexylamino)propylamino]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-(cyclohexylamino)propylamino]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(cyclohexylamino)propylamino]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(cyclohexylamino)propylamino]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(cyclohexylamino)propylamino]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(cyclohexylamino)propylamino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C22H28FN3O3 MolecularWeight: 401.474423

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCCCNC2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

C1CCC(CC1)NCCCNC2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C22H28FN3O3/c23-18-11-16-20(26(15-7-8-15)13-17(21(16)27)22(28)29)12-19(18)25-10-4-9-24-14-5-2-1-3-6-14/h11-15,24-25H,1-10H2,(H,28,29)