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

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(1,3-benzodioxol-5-yloxy)propanamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(1,3-benzodioxol-5-yloxy)propanamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-2-(1,3-benzodioxol-5-yloxy)propanamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(1,3-benzodioxol-5-yloxy)propanamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-2-(1,3-benzodioxol-5-yloxy)propionamide Formula: C22H28N4O5 MolecularWeight: 428.48152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCOC1=NC=NC(=C1)N2CCCCCC2)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C(=O)NCCOC1=NC=NC(=C1)N2CCCCCC2)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H28N4O5/c1-16(31-17-6-7-18-19(12-17)30-15-29-18)22(27)23-8-11-28-21-13-20(24-14-25-21)26-9-4-2-3-5-10-26/h6-7,12-14,16H,2-5,8-11,15H2,1H3,(H,23,27)