7-[3-[(1-cyanopropan-2-ylamino)methyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-[(1-cyanopropan-2-ylamino)methyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-[[(2-cyano-1-methyl-ethyl)amino]methyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-[(1-cyanopropan-2-ylamino)methyl]-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-[(1-cyanopropan-2-ylamino)methyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-[[(2-cyano-1-methyl-ethyl)amino]methyl]pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C23H27FN4O3 MolecularWeight: 426.483883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1N3CCC(C3)CNC(C)CC#N)F)C(=O)C(=CN2C4CC4)C(=O)O

Isomeric SMILES

CC1=C2C(=CC(=C1N3CCC(C3)CNC(C)CC#N)F)C(=O)C(=CN2C4CC4)C(=O)O

InChI

InChI=1S/C23H27FN4O3/c1-13(5-7-25)26-10-15-6-8-27(11-15)21-14(2)20-17(9-19(21)24)22(29)18(23(30)31)12-28(20)16-3-4-16/h9,12-13,15-16,26H,3-6,8,10-11H2,1-2H3,(H,30,31)