7-[3-(1-azanyl-2-cyano-2-methyl-propyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-(1-azanyl-2-cyano-2-methyl-propyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(1-amino-2-cyano-2-methyl-propyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(1-amino-2-cyano-2-methylpropyl)-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(1-amino-2-cyano-2-methylpropyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(1-amino-2-cyano-2-methyl-propyl)pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C23H27FN4O4 MolecularWeight: 442.483283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#N)C(C1CCN(C1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F)N

Isomeric SMILES

CC(C)(C#N)C(C1CCN(C1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F)N

InChI

InChI=1S/C23H27FN4O4/c1-23(2,11-25)21(26)12-6-7-27(9-12)18-16(24)8-14-17(20(18)32-3)28(13-4-5-13)10-15(19(14)29)22(30)31/h8,10,12-13,21H,4-7,9,26H2,1-3H3,(H,30,31)