7-[3-[1-(2-cyanoethylamino)propyl]azetidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-[1-(2-cyanoethylamino)propyl]azetidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-[1-(2-cyanoethylamino)propyl]azetidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-[1-(2-cyanoethylamino)propyl]-1-azetidinyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-[1-(2-cyanoethylamino)propyl]azetidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-[1-(2-cyanoethylamino)propyl]azetidin-1-yl]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C23H27FN4O4 MolecularWeight: 442.483283

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CN(C1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F)NCCC#N

Isomeric SMILES

CCC(C1CN(C1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F)NCCC#N

InChI

InChI=1S/C23H27FN4O4/c1-3-18(26-8-4-7-25)13-10-27(11-13)20-17(24)9-15-19(22(20)32-2)28(14-5-6-14)12-16(21(15)29)23(30)31/h9,12-14,18,26H,3-6,8,10-11H2,1-2H3,(H,30,31)