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

Systemtic Name: 2-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 2-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 2-[3-(aminomethyl)-1-pyrrolidinyl]-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 2-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 2-[3-(aminomethyl)pyrrolidino]-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C18H19F2N3O3 MolecularWeight: 363.358566

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C3=C(C=C(C=C3C(=O)C(=C2N4CCC(C4)CN)C(=O)O)F)F

Isomeric SMILES

C1CC1N2C3=C(C=C(C=C3C(=O)C(=C2N4CCC(C4)CN)C(=O)O)F)F

InChI

InChI=1S/C18H19F2N3O3/c19-10-5-12-15(13(20)6-10)23(11-1-2-11)17(14(16(12)24)18(25)26)22-4-3-9(7-21)8-22/h5-6,9,11H,1-4,7-8,21H2,(H,25,26)