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

Systemtic Name: 7-[3-(1-azanylethyl)-3-pyridin-2-yl-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-[3-(1-aminoethyl)-3-(2-pyridyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-[3-(1-aminoethyl)-3-(2-pyridinyl)-1-pyrrolidinyl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-[3-(1-aminoethyl)-3-pyridin-2-ylpyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-[3-(1-aminoethyl)-3-(2-pyridyl)pyrrolidino]-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C25H27FN4O4 MolecularWeight: 466.504683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1(CCN(C1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F)C5=CC=CC=N5)N

Isomeric SMILES

CC(C1(CCN(C1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F)C5=CC=CC=N5)N

InChI

InChI=1S/C25H27FN4O4/c1-14(27)25(19-5-3-4-9-28-19)8-10-29(13-25)21-18(26)11-16-20(23(21)34-2)30(15-6-7-15)12-17(22(16)31)24(32)33/h3-5,9,11-12,14-15H,6-8,10,13,27H2,1-2H3,(H,32,33)