2-[4-(2-phenylquinazolin-4-yl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(2-phenylquinazolin-4-yl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-(2-phenylquinazolin-4-yl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-(2-phenyl-4-quinazolinyl)-1-piperazin-1-iumyl]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(2-phenylquinazolin-4-yl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[4-(2-phenylquinazolin-4-yl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C27H25F3N5O+ MolecularWeight: 492.51551

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(F)(F)F)C3=NC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C(F)(F)F)C3=NC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H24F3N5O/c28-27(29,30)21-11-5-7-13-23(21)31-24(36)18-34-14-16-35(17-15-34)26-20-10-4-6-12-22(20)32-25(33-26)19-8-2-1-3-9-19/h1-13H,14-18H2,(H,31,36)/p+1