N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-2-(3-methylphenoxy)ethanamide

Systemtic Name: N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-2-(3-methylphenoxy)ethanamide Openeye Name: N-[[6-(azepan-1-yl)-3-pyridyl]methyl]-2-(3-methylphenoxy)acetamide CAS Name: N-[[6-(1-azepanyl)-3-pyridinyl]methyl]-2-(3-methylphenoxy)acetamide IUPAC Name: N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-2-(3-methylphenoxy)acetamide Traditional Name: N-[[6-(azepan-1-yl)-3-pyridyl]methyl]-2-(3-methylphenoxy)acetamide Formula: C21H27N3O2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NCC2=CN=C(C=C2)N3CCCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NCC2=CN=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C21H27N3O2/c1-17-7-6-8-19(13-17)26-16-21(25)23-15-18-9-10-20(22-14-18)24-11-4-2-3-5-12-24/h6-10,13-14H,2-5,11-12,15-16H2,1H3,(H,23,25)