7-(3-azanylpyrrolidin-1-yl)-4-oxidanylidene-5-(trifluoromethyl)-1H-1,8-naphthyridine-3-carboxylic acid

Systemtic Name: 7-(3-azanylpyrrolidin-1-yl)-4-oxidanylidene-5-(trifluoromethyl)-1H-1,8-naphthyridine-3-carboxylic acid Openeye Name: 7-(3-aminopyrrolidin-1-yl)-4-oxo-5-(trifluoromethyl)-1H-1,8-naphthyridine-3-carboxylic acid CAS Name: 7-(3-amino-1-pyrrolidinyl)-4-oxo-5-(trifluoromethyl)-1H-1,8-naphthyridine-3-carboxylic acid IUPAC Name: 7-(3-aminopyrrolidin-1-yl)-4-oxo-5-(trifluoromethyl)-1H-1,8-naphthyridine-3-carboxylic acid Traditional Name: 7-(3-aminopyrrolidino)-4-keto-5-(trifluoromethyl)-1H-1,8-naphthyridine-3-carboxylic acid Formula: C14H13F3N4O3 MolecularWeight: 342.27323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1N)C2=NC3=C(C(=C2)C(F)(F)F)C(=O)C(=CN3)C(=O)O

Isomeric SMILES

C1CN(CC1N)C2=NC3=C(C(=C2)C(F)(F)F)C(=O)C(=CN3)C(=O)O

InChI

InChI=1S/C14H13F3N4O3/c15-14(16,17)8-3-9(21-2-1-6(18)5-21)20-12-10(8)11(22)7(4-19-12)13(23)24/h3-4,6H,1-2,5,18H2,(H,23,24)(H,19,20,22)