N-[5-(azepan-1-ylcarbonyl)-1-methyl-2-oxidanylidene-pyridin-3-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[5-(azepan-1-ylcarbonyl)-1-methyl-2-oxidanylidene-pyridin-3-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[5-(azepane-1-carbonyl)-1-methyl-2-oxo-3-pyridyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[5-[1-azepanyl(oxo)methyl]-1-methyl-2-oxo-3-pyridinyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[5-(azepane-1-carbonyl)-1-methyl-2-oxopyridin-3-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[5-(azepane-1-carbonyl)-2-keto-1-methyl-3-pyridyl]-piperonylamide Formula: C21H23N3O5 MolecularWeight: 397.42442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C(C1=O)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)N4CCCCCC4

Isomeric SMILES

CN1C=C(C=C(C1=O)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)N4CCCCCC4

InChI

InChI=1S/C21H23N3O5/c1-23-12-15(20(26)24-8-4-2-3-5-9-24)10-16(21(23)27)22-19(25)14-6-7-17-18(11-14)29-13-28-17/h6-7,10-12H,2-5,8-9,13H2,1H3,(H,22,25)