6-methyl-3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-1-phenyl-pyridazin-4-one

Systemtic Name: 6-methyl-3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]carbonyl]-1-phenyl-pyridazin-4-one Openeye Name: 6-methyl-1-phenyl-3-[4-(p-tolylsulfonyl)-1,4-diazepane-1-carbonyl]pyridazin-4-one CAS Name: 6-methyl-3-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-oxomethyl]-1-phenyl-4-pyridazinone IUPAC Name: 6-methyl-3-[4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carbonyl]-1-phenylpyridazin-4-one Traditional Name: 6-methyl-1-phenyl-3-(4-tosyl-1,4-diazepane-1-carbonyl)pyridazin-4-one Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=NN(C(=CC3=O)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=NN(C(=CC3=O)C)C4=CC=CC=C4

InChI

InChI=1S/C24H26N4O4S/c1-18-9-11-21(12-10-18)33(31,32)27-14-6-13-26(15-16-27)24(30)23-22(29)17-19(2)28(25-23)20-7-4-3-5-8-20/h3-5,7-12,17H,6,13-16H2,1-2H3