5-oxidanylidene-5-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]pentanoic acid

Systemtic Name: 5-oxidanylidene-5-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]pentanoic acid Openeye Name: 5-oxo-5-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]pentanoic acid CAS Name: 5-oxo-5-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]pentanoic acid IUPAC Name: 5-oxo-5-[4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepan-1-yl]pentanoic acid Traditional Name: 5-keto-5-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepan-1-yl]valeric acid Formula: C16H20F3N3O3 MolecularWeight: 359.34351

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCCC(=O)O)C2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCCC(=O)O)C2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C16H20F3N3O3/c17-16(18,19)12-5-6-13(20-11-12)21-7-2-8-22(10-9-21)14(23)3-1-4-15(24)25/h5-6,11H,1-4,7-10H2,(H,24,25)