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

Systemtic Name: N-cyclopentyl-2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]quinazolin-4-amine Openeye Name: N-cyclopentyl-2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]quinazolin-4-amine CAS Name: N-cyclopentyl-2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-4-quinazolinamine IUPAC Name: N-cyclopentyl-2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]quinazolin-4-amine Traditional Name: cyclopentyl-[2-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazino]quinazolin-4-yl]amine Formula: C24H24F3N7O4 MolecularWeight: 531.48707

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=NC(=NC3=CC=CC=C32)N4CCN(CC4)C5=C(C=C(C=C5[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)NC2=NC(=NC3=CC=CC=C32)N4CCN(CC4)C5=C(C=C(C=C5[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C24H24F3N7O4/c25-24(26,27)15-13-19(33(35)36)21(20(14-15)34(37)38)31-9-11-32(12-10-31)23-29-18-8-4-3-7-17(18)22(30-23)28-16-5-1-2-6-16/h3-4,7-8,13-14,16H,1-2,5-6,9-12H2,(H,28,29,30)