2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-(1,3-benzodioxol-5-yl)pyridazin-3-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-(1,3-benzodioxol-5-yl)pyridazin-3-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]-6-(1,3-benzodioxol-5-yl)pyridazin-3-one CAS Name: 2-[2-(1-azepanyl)-2-oxoethyl]-6-(1,3-benzodioxol-5-yl)-3-pyridazinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]-6-(1,3-benzodioxol-5-yl)pyridazin-3-one Traditional Name: 2-[2-(azepan-1-yl)-2-keto-ethyl]-6-(1,3-benzodioxol-5-yl)pyridazin-3-one Formula: C19H21N3O4 MolecularWeight: 355.38774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C(=O)C=CC(=N2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C(=O)C=CC(=N2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H21N3O4/c23-18-8-6-15(14-5-7-16-17(11-14)26-13-25-16)20-22(18)12-19(24)21-9-3-1-2-4-10-21/h5-8,11H,1-4,9-10,12-13H2