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

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

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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)C4=CC=CC=C4C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C=CC(=N2)N3CCCN(CC3)S(=O)(=O)C4=CC=CC=C4C)C

InChI

InChI=1S/C24H28N4O3S/c1-18-9-10-21(17-20(18)3)28-24(29)12-11-23(25-28)26-13-6-14-27(16-15-26)32(30,31)22-8-5-4-7-19(22)2/h4-5,7-12,17H,6,13-16H2,1-3H3