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

Systemtic Name: 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxidanylidene-pyridin-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxo-1-pyridyl]-N-(p-tolyl)acetamide CAS Name: 2-[2-(1-azepanylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[2-(azepan-1-ylmethyl)-5-methoxy-4-oxopyridin-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[2-(azepan-1-ylmethyl)-4-keto-5-methoxy-1-pyridyl]-N-(p-tolyl)acetamide Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2C=C(C(=O)C=C2CN3CCCCCC3)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2C=C(C(=O)C=C2CN3CCCCCC3)OC

InChI

InChI=1S/C22H29N3O3/c1-17-7-9-18(10-8-17)23-22(27)16-25-15-21(28-2)20(26)13-19(25)14-24-11-5-3-4-6-12-24/h7-10,13,15H,3-6,11-12,14,16H2,1-2H3,(H,23,27)