2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one Openeye Name: 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one CAS Name: 2-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one Traditional Name: 2-[[4-[3-(trifluoromethyl)phenyl]piperazino]methyl]-4H-1,4-benzoxazin-3-one Formula: C20H20F3N3O2 MolecularWeight: 391.38691

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2C(=O)NC3=CC=CC=C3O2)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2C(=O)NC3=CC=CC=C3O2)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C20H20F3N3O2/c21-20(22,23)14-4-3-5-15(12-14)26-10-8-25(9-11-26)13-18-19(27)24-16-6-1-2-7-17(16)28-18/h1-7,12,18H,8-11,13H2,(H,24,27)