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

Systemtic Name: 7-[3-(aminomethyl)-3-pyridin-2-yl-pyrrolidin-1-yl]-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(aminomethyl)-3-(2-pyridyl)pyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(aminomethyl)-3-(2-pyridinyl)-1-pyrrolidinyl]-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(aminomethyl)-3-pyridin-2-ylpyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(aminomethyl)-3-(2-pyridyl)pyrrolidino]-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C23H22F2N4O3 MolecularWeight: 440.442586

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCC(C4)(CN)C5=CC=CC=N5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCC(C4)(CN)C5=CC=CC=N5)F)C(=O)O

InChI

InChI=1S/C23H22F2N4O3/c24-16-9-14-19(29(13-4-5-13)10-15(21(14)30)22(31)32)18(25)20(16)28-8-6-23(11-26,12-28)17-3-1-2-7-27-17/h1-3,7,9-10,13H,4-6,8,11-12,26H2,(H,31,32)