2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-(3,4,5-trimethoxyphenyl)pyridazin-3-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-(3,4,5-trimethoxyphenyl)pyridazin-3-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]-6-(3,4,5-trimethoxyphenyl)pyridazin-3-one CAS Name: 2-[2-(1-azepanyl)-2-oxoethyl]-6-(3,4,5-trimethoxyphenyl)-3-pyridazinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]-6-(3,4,5-trimethoxyphenyl)pyridazin-3-one Traditional Name: 2-[2-(azepan-1-yl)-2-keto-ethyl]-6-(3,4,5-trimethoxyphenyl)pyridazin-3-one Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN(C(=O)C=C2)CC(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN(C(=O)C=C2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C21H27N3O5/c1-27-17-12-15(13-18(28-2)21(17)29-3)16-8-9-19(25)24(22-16)14-20(26)23-10-6-4-5-7-11-23/h8-9,12-13H,4-7,10-11,14H2,1-3H3