7-[3-[2-cyano-2-(methylamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-[2-cyano-2-(methylamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-[2-cyano-2-(methylamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-[2-cyano-2-(methylamino)ethyl]-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-[2-cyano-2-(methylamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-[2-cyano-2-(methylamino)ethyl]pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H23FN4O3 MolecularWeight: 398.430723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(CC1CCN(C1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)C#N

Isomeric SMILES

CNC(CC1CCN(C1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)C#N

InChI

InChI=1S/C21H23FN4O3/c1-24-13(9-23)6-12-4-5-25(10-12)19-8-18-15(7-17(19)22)20(27)16(21(28)29)11-26(18)14-2-3-14/h7-8,11-14,24H,2-6,10H2,1H3,(H,28,29)