6-[4-(2,5-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(4-methylphenyl)pyridazin-3-one

Systemtic Name: 6-[4-(2,5-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(4-methylphenyl)pyridazin-3-one Openeye Name: 6-[4-(2,5-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(p-tolyl)pyridazin-3-one CAS Name: 6-[4-(2,5-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(4-methylphenyl)-3-pyridazinone IUPAC Name: 6-[4-(2,5-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(4-methylphenyl)pyridazin-3-one Traditional Name: 6-[4-(2,5-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(p-tolyl)pyridazin-3-one Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C=CC(=N2)N3CCCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C=CC(=N2)N3CCCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)C)C

InChI

InChI=1S/C24H28N4O3S/c1-18-6-9-21(10-7-18)28-24(29)12-11-23(25-28)26-13-4-14-27(16-15-26)32(30,31)22-17-19(2)5-8-20(22)3/h5-12,17H,4,13-16H2,1-3H3