N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(1,3-benzodioxol-5-yloxy)ethanamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(1,3-benzodioxol-5-yloxy)ethanamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(1,3-benzodioxol-5-yloxy)acetamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-2-(1,3-benzodioxol-5-yloxy)acetamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(1,3-benzodioxol-5-yloxy)acetamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(1,3-benzodioxol-5-yloxy)acetamide Formula: C21H26N4O5 MolecularWeight: 414.45494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=NC=N2)OCCNC(=O)COC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)C2=CC(=NC=N2)OCCNC(=O)COC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H26N4O5/c26-20(13-28-16-5-6-17-18(11-16)30-15-29-17)22-7-10-27-21-12-19(23-14-24-21)25-8-3-1-2-4-9-25/h5-6,11-12,14H,1-4,7-10,13,15H2,(H,22,26)