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

Systemtic Name: 6-[4-(3,5-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(4-methylphenyl)pyridazin-3-one Openeye Name: 6-[4-(3,5-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(p-tolyl)pyridazin-3-one CAS Name: 6-[4-(3,5-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(4-methylphenyl)-3-pyridazinone IUPAC Name: 6-[4-(3,5-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(4-methylphenyl)pyridazin-3-one Traditional Name: 6-[4-(3,5-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=CC(=CC(=C4)C)C

Isomeric SMILES

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

InChI

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