4-[[3-[5-methyl-4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]phenyl]methyl]-1,4-diazepan-2-one

Systemtic Name: 4-[[3-[5-methyl-4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]phenyl]methyl]-1,4-diazepan-2-one Openeye Name: 4-[[3-[5-methyl-4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]phenyl]methyl]-1,4-diazepan-2-one CAS Name: 4-[[3-[5-methyl-4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]phenyl]methyl]-1,4-diazepan-2-one IUPAC Name: 4-[[3-[5-methyl-4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]phenyl]methyl]-1,4-diazepan-2-one Traditional Name: 4-[3-[4-keto-5-methyl-6-(trifluoromethyl)-1H-pyrimidin-2-yl]benzyl]-1,4-diazepan-2-one Formula: C18H19F3N4O2 MolecularWeight: 380.36427

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)C2=CC(=CC=C2)CN3CCCNC(=O)C3)C(F)(F)F

Isomeric SMILES

CC1=C(NC(=NC1=O)C2=CC(=CC=C2)CN3CCCNC(=O)C3)C(F)(F)F

InChI

InChI=1S/C18H19F3N4O2/c1-11-15(18(19,20)21)23-16(24-17(11)27)13-5-2-4-12(8-13)9-25-7-3-6-22-14(26)10-25/h2,4-5,8H,3,6-7,9-10H2,1H3,(H,22,26)(H,23,24,27)