2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxidanylidene-pyridin-1-yl]-N-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxidanylidene-pyridin-1-yl]-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridyl]-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[2-(1-azepanylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxopyridin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[2-(azepan-1-ylmethyl)-4-keto-5-methoxy-1-pyridyl]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C22H26F3N3O3 MolecularWeight: 437.45535

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN(C(=CC1=O)CN2CCCCCC2)CC(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC1=CN(C(=CC1=O)CN2CCCCCC2)CC(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H26F3N3O3/c1-31-20-14-28(18(12-19(20)29)13-27-9-4-2-3-5-10-27)15-21(30)26-17-8-6-7-16(11-17)22(23,24)25/h6-8,11-12,14H,2-5,9-10,13,15H2,1H3,(H,26,30)