N-[3-(2-nitroimidazol-2-yl)propyl]-7-(trifluoromethyl)quinolin-4-amine hydrochloride

Systemtic Name: N-[3-(2-nitroimidazol-2-yl)propyl]-7-(trifluoromethyl)quinolin-4-amine hydrochloride Openeye Name: N-[3-(2-nitroimidazol-2-yl)propyl]-7-(trifluoromethyl)quinolin-4-amine hydrochloride CAS Name: N-[3-(2-nitro-2-imidazolyl)propyl]-7-(trifluoromethyl)-4-quinolinamine hydrochloride IUPAC Name: N-[3-(2-nitroimidazol-2-yl)propyl]-7-(trifluoromethyl)quinolin-4-amine hydrochloride Traditional Name: 3-(2-nitroimidazol-2-yl)propyl-[7-(trifluoromethyl)-4-quinolyl]amine hydrochloride Formula: C16H15ClF3N5O2 MolecularWeight: 401.77081

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2C=C1C(F)(F)F)NCCCC3(N=CC=N3)[N+](=O)[O-].Cl

Isomeric SMILES

C1=CC2=C(C=CN=C2C=C1C(F)(F)F)NCCCC3(N=CC=N3)[N+](=O)[O-].Cl

InChI

InChI=1S/C16H14F3N5O2.ClH/c17-16(18,19)11-2-3-12-13(4-7-21-14(12)10-11)20-6-1-5-15(24(25)26)22-8-9-23-15;/h2-4,7-10H,1,5-6H2,(H,20,21);1H