6,7-dimethoxy-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 6,7-dimethoxy-2-[[4-[3-(trifluoromethyl)phenyl]piperazino]methyl]-1H-quinazolin-4-one Formula: C22H23F3N4O3 MolecularWeight: 448.43823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)OC

InChI

InChI=1S/C22H23F3N4O3/c1-31-18-11-16-17(12-19(18)32-2)26-20(27-21(16)30)13-28-6-8-29(9-7-28)15-5-3-4-14(10-15)22(23,24)25/h3-5,10-12H,6-9,13H2,1-2H3,(H,26,27,30)