7-[(3S)-3-azanylpyrrolidin-1-yl]-1-tert-butyl-6-fluoranyl-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid hydrochloride

Systemtic Name: 7-[(3S)-3-azanylpyrrolidin-1-yl]-1-tert-butyl-6-fluoranyl-4-oxidanylidene-1,8-naphthyridine-3-carboxylic acid hydrochloride Openeye Name: 7-[(3S)-3-aminopyrrolidin-1-yl]-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid hydrochloride CAS Name: 7-[(3S)-3-amino-1-pyrrolidinyl]-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid hydrochloride IUPAC Name: 7-[(3S)-3-aminopyrrolidin-1-yl]-1-tert-butyl-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid hydrochloride Traditional Name: 7-[(3S)-3-aminopyrrolidino]-1-tert-butyl-6-fluoro-4-keto-1,8-naphthyridine-3-carboxylic acid hydrochloride Formula: C17H22ClFN4O3 MolecularWeight: 384.832983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C=C(C(=O)C2=CC(=C(N=C21)N3CCC(C3)N)F)C(=O)O.Cl

Isomeric SMILES

CC(C)(C)N1C=C(C(=O)C2=CC(=C(N=C21)N3CC[C@@H](C3)N)F)C(=O)O.Cl

InChI

InChI=1S/C17H21FN4O3.ClH/c1-17(2,3)22-8-11(16(24)25)13(23)10-6-12(18)15(20-14(10)22)21-5-4-9(19)7-21;/h6,8-9H,4-5,7,19H2,1-3H3,(H,24,25);1H/t9-;/m0./s1