6-nitro-7-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine

Systemtic Name: 6-nitro-7-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine Openeye Name: 6-nitro-7-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine CAS Name: 6-nitro-7-(1-piperazinyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-4-quinazolinamine IUPAC Name: 6-nitro-7-piperazin-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine Traditional Name: (6-nitro-7-piperazino-quinazolin-4-yl)-[4-(trifluoromethyl)benzyl]amine Formula: C20H19F3N6O2 MolecularWeight: 432.39907

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H19F3N6O2/c21-20(22,23)14-3-1-13(2-4-14)11-25-19-15-9-18(29(30)31)17(10-16(15)26-12-27-19)28-7-5-24-6-8-28/h1-4,9-10,12,24H,5-8,11H2,(H,25,26,27)