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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC(=C(C=C4)C)C

InChI

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