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

Systemtic Name: 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxidanylidene-pyridin-1-yl]-N-(5-chloranyl-2-methoxy-phenyl)ethanamide Openeye Name: 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridyl]-N-(5-chloro-2-methoxy-phenyl)acetamide CAS Name: 2-[2-(1-azepanylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(5-chloro-2-methoxyphenyl)acetamide IUPAC Name: 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxopyridin-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide Traditional Name: 2-[2-(azepan-1-ylmethyl)-4-keto-5-methoxy-1-pyridyl]-N-(5-chloro-2-methoxy-phenyl)acetamide Formula: C22H28ClN3O4 MolecularWeight: 433.92842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)CN2C=C(C(=O)C=C2CN3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)CN2C=C(C(=O)C=C2CN3CCCCCC3)OC

InChI

InChI=1S/C22H28ClN3O4/c1-29-20-8-7-16(23)11-18(20)24-22(28)15-26-14-21(30-2)19(27)12-17(26)13-25-9-5-3-4-6-10-25/h7-8,11-12,14H,3-6,9-10,13,15H2,1-2H3,(H,24,28)