3-phenyl-4-[2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]piperazin-2-one

Systemtic Name: 3-phenyl-4-[2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]piperazin-2-one Openeye Name: 3-phenyl-4-[2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]piperazin-2-one CAS Name: 3-phenyl-4-[2-[[3-(trifluoromethyl)phenyl]methylamino]-4-pyrimidinyl]-2-piperazinone IUPAC Name: 3-phenyl-4-[2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]piperazin-2-one Traditional Name: 3-phenyl-4-[2-[[3-(trifluoromethyl)benzyl]amino]pyrimidin-4-yl]piperazin-2-one Formula: C22H20F3N5O MolecularWeight: 427.42231

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)C2=CC=CC=C2)C3=NC(=NC=C3)NCC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1CN(C(C(=O)N1)C2=CC=CC=C2)C3=NC(=NC=C3)NCC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C22H20F3N5O/c23-22(24,25)17-8-4-5-15(13-17)14-28-21-27-10-9-18(29-21)30-12-11-26-20(31)19(30)16-6-2-1-3-7-16/h1-10,13,19H,11-12,14H2,(H,26,31)(H,27,28,29)