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

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(3-chloranylphenoxy)ethanamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(3-chlorophenoxy)acetamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-2-(3-chlorophenoxy)acetamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(3-chlorophenoxy)acetamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(3-chlorophenoxy)acetamide Formula: C20H25ClN4O3 MolecularWeight: 404.8905

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=NC=N2)OCCNC(=O)COC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCCN(CC1)C2=CC(=NC=N2)OCCNC(=O)COC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H25ClN4O3/c21-16-6-5-7-17(12-16)28-14-19(26)22-8-11-27-20-13-18(23-15-24-20)25-9-3-1-2-4-10-25/h5-7,12-13,15H,1-4,8-11,14H2,(H,22,26)