N-[2-nitro-4-(trifluoromethyl)phenyl]-N'-(2-pyrrolidin-1-ylquinazolin-4-yl)propane-1,3-diamine

Systemtic Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-N'-(2-pyrrolidin-1-ylquinazolin-4-yl)propane-1,3-diamine Openeye Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-N'-(2-pyrrolidin-1-ylquinazolin-4-yl)propane-1,3-diamine CAS Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-N'-[2-(1-pyrrolidinyl)-4-quinazolinyl]propane-1,3-diamine IUPAC Name: N-[2-nitro-4-(trifluoromethyl)phenyl]-N'-(2-pyrrolidin-1-ylquinazolin-4-yl)propane-1,3-diamine Traditional Name: 3-[2-nitro-4-(trifluoromethyl)anilino]propyl-(2-pyrrolidinoquinazolin-4-yl)amine Formula: C22H23F3N6O2 MolecularWeight: 460.45223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=CC=CC=C3C(=N2)NCCCNC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=NC3=CC=CC=C3C(=N2)NCCCNC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H23F3N6O2/c23-22(24,25)15-8-9-18(19(14-15)31(32)33)26-10-5-11-27-20-16-6-1-2-7-17(16)28-21(29-20)30-12-3-4-13-30/h1-2,6-9,14,26H,3-5,10-13H2,(H,27,28,29)