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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-6-(2,4-dimethylphenyl)pyridazin-3-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]-6-(2,4-dimethylphenyl)pyridazin-3-one CAS Name: 2-[2-(1-azepanyl)-2-oxoethyl]-6-(2,4-dimethylphenyl)-3-pyridazinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]-6-(2,4-dimethylphenyl)pyridazin-3-one Traditional Name: 2-[2-(azepan-1-yl)-2-keto-ethyl]-6-(2,4-dimethylphenyl)pyridazin-3-one Formula: C20H25N3O2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)N3CCCCCC3)C

InChI

InChI=1S/C20H25N3O2/c1-15-7-8-17(16(2)13-15)18-9-10-19(24)23(21-18)14-20(25)22-11-5-3-4-6-12-22/h7-10,13H,3-6,11-12,14H2,1-2H3