N-[3-(2-nitroimidazol-1-yl)propyl]-7-(trifluoromethyl)quinolin-4-amine hydrochloride

Systemtic Name: N-[3-(2-nitroimidazol-1-yl)propyl]-7-(trifluoromethyl)quinolin-4-amine hydrochloride Openeye Name: N-[3-(2-nitroimidazol-1-yl)propyl]-7-(trifluoromethyl)quinolin-4-amine hydrochloride CAS Name: N-[3-(2-nitro-1-imidazolyl)propyl]-7-(trifluoromethyl)-4-quinolinamine hydrochloride IUPAC Name: N-[3-(2-nitroimidazol-1-yl)propyl]-7-(trifluoromethyl)quinolin-4-amine hydrochloride Traditional Name: 3-(2-nitroimidazol-1-yl)propyl-[7-(trifluoromethyl)-4-quinolyl]amine hydrochloride Formula: C16H15ClF3N5O2 MolecularWeight: 401.77081

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2C=C1C(F)(F)F)NCCCN3C=CN=C3[N+](=O)[O-].Cl

Isomeric SMILES

C1=CC2=C(C=CN=C2C=C1C(F)(F)F)NCCCN3C=CN=C3[N+](=O)[O-].Cl

InChI

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