3-[[2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]azepan-2-one

Systemtic Name: 3-[[2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]azepan-2-one Openeye Name: 3-[[2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]azepan-2-one CAS Name: 3-[[2-methyl-5-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl]amino]-2-azepanone IUPAC Name: 3-[[2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]azepan-2-one Traditional Name: 3-[[2-methyl-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]azepan-2-one Formula: C18H19F3N4O MolecularWeight: 364.36487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)NC2CCCCNC2=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=NC=C(C(=N1)NC2CCCCNC2=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H19F3N4O/c1-11-23-10-14(12-5-7-13(8-6-12)18(19,20)21)16(24-11)25-15-4-2-3-9-22-17(15)26/h5-8,10,15H,2-4,9H2,1H3,(H,22,26)(H,23,24,25)