2-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]quinazolin-4-amine

Systemtic Name: 2-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]quinazolin-4-amine Openeye Name: 2-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]quinazolin-4-amine CAS Name: 2-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-4-quinazolinamine IUPAC Name: 2-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]quinazolin-4-amine Traditional Name: [2-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]methyl]quinazolin-4-yl]amine Formula: C20H19F3N6O2 MolecularWeight: 432.39907

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3C(=N2)N)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

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