7-(3-azanyl-4-methyl-pyrrolidin-1-yl)-1-tert-butyl-6-fluoranyl-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid; 4H-cinnolin-3-one

Systemtic Name: 7-(3-azanyl-4-methyl-pyrrolidin-1-yl)-1-tert-butyl-6-fluoranyl-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid; 4H-cinnolin-3-one Openeye Name: 7-(3-amino-4-methyl-pyrrolidin-1-yl)-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid; 4H-cinnolin-3-one CAS Name: 7-(3-amino-4-methyl-1-pyrrolidinyl)-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid; 4H-cinnolin-3-one IUPAC Name: 7-(3-amino-4-methylpyrrolidin-1-yl)-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid; 4H-cinnolin-3-one Traditional Name: 7-(3-amino-4-methyl-pyrrolidino)-1-tert-butyl-6-fluoro-4-keto-1,8-naphthyridine-3-carboxylic acid; 4H-cinnolin-3-one Formula: C26H29FN6O4 MolecularWeight: 508.544663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C(C)(C)C)C(=O)O)F.C1C2=CC=CC=C2N=NC1=O

Isomeric SMILES

CC1CN(CC1N)C2=C(C=C3C(=O)C(=CN(C3=N2)C(C)(C)C)C(=O)O)F.C1C2=CC=CC=C2N=NC1=O

InChI

InChI=1S/C18H23FN4O3.C8H6N2O/c1-9-6-22(8-13(9)20)16-12(19)5-10-14(24)11(17(25)26)7-23(15(10)21-16)18(2,3)4;11-8-5-6-3-1-2-4-7(6)9-10-8/h5,7,9,13H,6,8,20H2,1-4H3,(H,25,26);1-4H,5H2