2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-(3-methoxyphenyl)pyridazin-3-one

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-(3-methoxyphenyl)pyridazin-3-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]-6-(3-methoxyphenyl)pyridazin-3-one CAS Name: 2-[2-(1-azepanyl)-2-oxoethyl]-6-(3-methoxyphenyl)-3-pyridazinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]-6-(3-methoxyphenyl)pyridazin-3-one Traditional Name: 2-[2-(azepan-1-yl)-2-keto-ethyl]-6-(3-methoxyphenyl)pyridazin-3-one Formula: C19H23N3O3 MolecularWeight: 341.40422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C(=O)C=C2)CC(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C(=O)C=C2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C19H23N3O3/c1-25-16-8-6-7-15(13-16)17-9-10-18(23)22(20-17)14-19(24)21-11-4-2-3-5-12-21/h6-10,13H,2-5,11-12,14H2,1H3