7-[3-(aminomethyl)-3-pyridin-4-yl-pyrrolidin-1-yl]-5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-[3-(aminomethyl)-3-pyridin-4-yl-pyrrolidin-1-yl]-5-azanyl-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-[3-(aminomethyl)-3-(4-pyridyl)pyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-[3-(aminomethyl)-3-pyridin-4-yl-1-pyrrolidinyl]-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-[3-(aminomethyl)-3-pyridin-4-ylpyrrolidin-1-yl]-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-[3-(aminomethyl)-3-(4-pyridyl)pyrrolidino]-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C23H23F2N5O3 MolecularWeight: 455.457226

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)N4CCC(C4)(CN)C5=CC=NC=C5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)N4CCC(C4)(CN)C5=CC=NC=C5)F)C(=O)O

InChI

InChI=1S/C23H23F2N5O3/c24-16-18(27)15-19(30(13-1-2-13)9-14(21(15)31)22(32)33)17(25)20(16)29-8-5-23(10-26,11-29)12-3-6-28-7-4-12/h3-4,6-7,9,13H,1-2,5,8,10-11,26-27H2,(H,32,33)