N-prop-2-ynyl-2-[4-[2-(trifluoromethyl)phenyl]carbonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-prop-2-ynyl-2-[4-[2-(trifluoromethyl)phenyl]carbonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-prop-2-ynyl-2-[4-[2-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]acetamide CAS Name: 2-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]-N-prop-2-ynylacetamide IUPAC Name: N-prop-2-ynyl-2-[4-[2-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-propargyl-2-[4-[2-(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl]acetamide Formula: C18H20F3N3O2 MolecularWeight: 367.36551

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)CN1CCCN(CC1)C(=O)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

C#CCNC(=O)CN1CCCN(CC1)C(=O)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C18H20F3N3O2/c1-2-8-22-16(25)13-23-9-5-10-24(12-11-23)17(26)14-6-3-4-7-15(14)18(19,20)21/h1,3-4,6-7H,5,8-13H2,(H,22,25)