N-[2-nitro-4-(trifluoromethyl)phenyl]-N'-(2-phenylquinazolin-4-yl)ethane-1,2-diamine

Systemtic Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-N'-(2-phenylquinazolin-4-yl)ethane-1,2-diamine Openeye Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-N'-(2-phenylquinazolin-4-yl)ethane-1,2-diamine CAS Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-N'-(2-phenyl-4-quinazolinyl)ethane-1,2-diamine IUPAC Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-N'-(2-phenylquinazolin-4-yl)ethane-1,2-diamine Traditional Name: 2-[2-nitro-4-(trifluoromethyl)anilino]ethyl-(2-phenylquinazolin-4-yl)amine Formula: C23H18F3N5O2 MolecularWeight: 453.41653

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCCNC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NCCNC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C23H18F3N5O2/c24-23(25,26)16-10-11-19(20(14-16)31(32)33)27-12-13-28-22-17-8-4-5-9-18(17)29-21(30-22)15-6-2-1-3-7-15/h1-11,14,27H,12-13H2,(H,28,29,30)