N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(3-methoxyphenoxy)ethanamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(3-methoxyphenoxy)ethanamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(3-methoxyphenoxy)acetamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-2-(3-methoxyphenoxy)acetamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(3-methoxyphenoxy)acetamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(3-methoxyphenoxy)acetamide Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3

Isomeric SMILES

COC1=CC(=CC=C1)OCC(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3

InChI

InChI=1S/C21H28N4O4/c1-27-17-7-6-8-18(13-17)29-15-20(26)22-9-12-28-21-14-19(23-16-24-21)25-10-4-2-3-5-11-25/h6-8,13-14,16H,2-5,9-12,15H2,1H3,(H,22,26)