6,7-dimethoxy-2-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 6,7-dimethoxy-2-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]methyl]-1H-quinazolin-4-one Formula: C22H22F3N5O5 MolecularWeight: 493.43579

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-])OC

InChI

InChI=1S/C22H22F3N5O5/c1-34-18-10-14-15(11-19(18)35-2)26-20(27-21(14)31)12-28-5-7-29(8-6-28)16-4-3-13(22(23,24)25)9-17(16)30(32)33/h3-4,9-11H,5-8,12H2,1-2H3,(H,26,27,31)