2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-N-quinolin-6-yl-quinazolin-4-amine

Systemtic Name: 2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-N-quinolin-6-yl-quinazolin-4-amine Openeye Name: 2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-N-(6-quinolyl)quinazolin-4-amine CAS Name: 2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-N-(6-quinolinyl)-4-quinazolinamine IUPAC Name: 2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-N-quinolin-6-ylquinazolin-4-amine Traditional Name: [2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazino]quinazolin-4-yl]-(6-quinolyl)amine Formula: C28H21F3N8O4 MolecularWeight: 590.51275

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C3=NC4=CC=CC=C4C(=N3)NC5=CC6=C(C=C5)N=CC=C6

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C3=NC4=CC=CC=C4C(=N3)NC5=CC6=C(C=C5)N=CC=C6

InChI

InChI=1S/C28H21F3N8O4/c29-28(30,31)18-15-23(38(40)41)25(24(16-18)39(42)43)36-10-12-37(13-11-36)27-34-22-6-2-1-5-20(22)26(35-27)33-19-7-8-21-17(14-19)4-3-9-32-21/h1-9,14-16H,10-13H2,(H,33,34,35)