ethyl 7-azanyl-1-[6-(tert-butylamino)-3,5-bis(fluoranyl)pyridin-2-yl]-6-fluoranyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 7-azanyl-1-[6-(tert-butylamino)-3,5-bis(fluoranyl)pyridin-2-yl]-6-fluoranyl-8-methyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 7-amino-1-[6-(tert-butylamino)-3,5-difluoro-2-pyridyl]-6-fluoro-8-methyl-4-oxo-quinoline-3-carboxylate CAS Name: 7-amino-1-[6-(tert-butylamino)-3,5-difluoro-2-pyridinyl]-6-fluoro-8-methyl-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-amino-1-[6-(tert-butylamino)-3,5-difluoropyridin-2-yl]-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylate Traditional Name: 7-amino-1-[6-(tert-butylamino)-3,5-difluoro-2-pyridyl]-6-fluoro-4-keto-8-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C22H23F3N4O3 MolecularWeight: 448.43823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N)C)C3=NC(=C(C=C3F)F)NC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N)C)C3=NC(=C(C=C3F)F)NC(C)(C)C

InChI

InChI=1S/C22H23F3N4O3/c1-6-32-21(31)12-9-29(17-10(2)16(26)13(23)7-11(17)18(12)30)20-15(25)8-14(24)19(27-20)28-22(3,4)5/h7-9H,6,26H2,1-5H3,(H,27,28)