2-[[4-[[4-(trifluoromethyloxy)phenyl]methyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-[[4-(trifluoromethyloxy)phenyl]methyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[[4-(trifluoromethoxy)phenyl]methyl]-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-[4-(trifluoromethoxy)benzyl]piperazino]methyl]-1H-quinazolin-4-one Formula: C21H21F3N4O2 MolecularWeight: 418.41225

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)OC(F)(F)F)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)OC(F)(F)F)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H21F3N4O2/c22-21(23,24)30-16-7-5-15(6-8-16)13-27-9-11-28(12-10-27)14-19-25-18-4-2-1-3-17(18)20(29)26-19/h1-8H,9-14H2,(H,25,26,29)