4-[2-[[3-fluoranyl-5-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]-3-phenyl-piperazin-2-one

Systemtic Name: 4-[2-[[3-fluoranyl-5-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]-3-phenyl-piperazin-2-one Openeye Name: 4-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]-3-phenyl-piperazin-2-one CAS Name: 4-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-4-pyrimidinyl]-3-phenyl-2-piperazinone IUPAC Name: 4-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]-3-phenylpiperazin-2-one Traditional Name: 4-[2-[[3-fluoro-5-(trifluoromethyl)benzyl]amino]pyrimidin-4-yl]-3-phenyl-piperazin-2-one Formula: C22H19F4N5O MolecularWeight: 445.412773

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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)F)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C22H19F4N5O/c23-17-11-14(10-16(12-17)22(24,25)26)13-29-21-28-7-6-18(30-21)31-9-8-27-20(32)19(31)15-4-2-1-3-5-15/h1-7,10-12,19H,8-9,13H2,(H,27,32)(H,28,29,30)