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

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(4-ethoxyphenoxy)ethanamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(4-ethoxyphenoxy)acetamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-2-(4-ethoxyphenoxy)acetamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(4-ethoxyphenoxy)acetamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(4-ethoxyphenoxy)acetamide Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCC(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)OCC(=O)NCCOC2=NC=NC(=C2)N3CCCCCC3

InChI

InChI=1S/C22H30N4O4/c1-2-28-18-7-9-19(10-8-18)30-16-21(27)23-11-14-29-22-15-20(24-17-25-22)26-12-5-3-4-6-13-26/h7-10,15,17H,2-6,11-14,16H2,1H3,(H,23,27)