3,3-dimethyl-5-oxidanylidene-5-[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]pentanoate

Systemtic Name: 3,3-dimethyl-5-oxidanylidene-5-[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]pentanoate Openeye Name: 3,3-dimethyl-5-oxo-5-[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]pentanoate CAS Name: 3,3-dimethyl-5-oxo-5-[4-[4-(trifluoromethyl)-2-pyrimidinyl]-1,4-diazepan-1-yl]pentanoate IUPAC Name: 3,3-dimethyl-5-oxo-5-[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]pentanoate Traditional Name: 5-keto-3,3-dimethyl-5-[4-[4-(trifluoromethyl)pyrimidin-2-yl]-1,4-diazepan-1-yl]valerate Formula: C17H22F3N4O3- MolecularWeight: 387.37679

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)N1CCCN(CC1)C2=NC=CC(=N2)C(F)(F)F)CC(=O)[O-]

Isomeric SMILES

CC(C)(CC(=O)N1CCCN(CC1)C2=NC=CC(=N2)C(F)(F)F)CC(=O)[O-]

InChI

InChI=1S/C17H23F3N4O3/c1-16(2,11-14(26)27)10-13(25)23-6-3-7-24(9-8-23)15-21-5-4-12(22-15)17(18,19)20/h4-5H,3,6-11H2,1-2H3,(H,26,27)/p-1