2-(3,4-dimethylphenyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyridazin-3-one

Systemtic Name: 2-(3,4-dimethylphenyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyridazin-3-one Openeye Name: 2-(3,4-dimethylphenyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyridazin-3-one CAS Name: 2-(3,4-dimethylphenyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)-3-pyridazinone IUPAC Name: 2-(3,4-dimethylphenyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)pyridazin-3-one Traditional Name: 2-(3,4-dimethylphenyl)-6-(4-mesyl-1,4-diazepan-1-yl)pyridazin-3-one Formula: C18H24N4O3S MolecularWeight: 376.47316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C=CC(=N2)N3CCCN(CC3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C=CC(=N2)N3CCCN(CC3)S(=O)(=O)C)C

InChI

InChI=1S/C18H24N4O3S/c1-14-5-6-16(13-15(14)2)22-18(23)8-7-17(19-22)20-9-4-10-21(12-11-20)26(3,24)25/h5-8,13H,4,9-12H2,1-3H3