7-[2-(3-aminophenyl)pyrrolidin-1-yl]-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[2-(3-aminophenyl)pyrrolidin-1-yl]-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[2-(3-aminophenyl)pyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[2-(3-aminophenyl)-1-pyrrolidinyl]-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[2-(3-aminophenyl)pyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[2-(3-aminophenyl)pyrrolidino]-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C23H21F2N3O3 MolecularWeight: 425.427946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F)C5=CC(=CC=C5)N

Isomeric SMILES

C1CC(N(C1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)F)C5=CC(=CC=C5)N

InChI

InChI=1S/C23H21F2N3O3/c24-17-10-15-20(28(14-6-7-14)11-16(22(15)29)23(30)31)19(25)21(17)27-8-2-5-18(27)12-3-1-4-13(26)9-12/h1,3-4,9-11,14,18H,2,5-8,26H2,(H,30,31)