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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)N3CCCCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CC(=O)N3CCCCCC3

InChI

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