6-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[[4-[4-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[[4-[4-(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(CCN1CC2=CC3=C(C=C2)OCC(=O)N3)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCC(=O)N3)C4=CC=C(C=C4)C(F)(F)F

InChI

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