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

Systemtic Name: 1-[[3-[4-oxidanylidene-6-(trifluoromethyl)-1H-pyrimidin-2-yl]phenyl]methyl]-1,4-diazepan-5-one Openeye Name: 1-[[3-[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]phenyl]methyl]-1,4-diazepan-5-one CAS Name: 1-[[3-[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]phenyl]methyl]-1,4-diazepan-5-one IUPAC Name: 1-[[3-[4-oxo-6-(trifluoromethyl)-1H-pyrimidin-2-yl]phenyl]methyl]-1,4-diazepan-5-one Traditional Name: 1-[3-[4-keto-6-(trifluoromethyl)-1H-pyrimidin-2-yl]benzyl]-1,4-diazepan-5-one Formula: C17H17F3N4O2 MolecularWeight: 366.33769

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCNC1=O)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C(F)(F)F

Isomeric SMILES

C1CN(CCNC1=O)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)C(F)(F)F

InChI

InChI=1S/C17H17F3N4O2/c18-17(19,20)13-9-15(26)23-16(22-13)12-3-1-2-11(8-12)10-24-6-4-14(25)21-5-7-24/h1-3,8-9H,4-7,10H2,(H,21,25)(H,22,23,26)