N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[[6-(1-azepanyl)-4-pyrimidinyl]oxy]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[6-(azepan-1-yl)pyrimidin-4-yl]oxyethyl]-piperonylamide Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4/c25-20(15-5-6-16-17(11-15)28-14-27-16)21-7-10-26-19-12-18(22-13-23-19)24-8-3-1-2-4-9-24/h5-6,11-13H,1-4,7-10,14H2,(H,21,25)