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

Systemtic Name: 6-[4-(2,5-dimethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one Openeye Name: 6-[4-(2,5-dimethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one CAS Name: 6-[4-(2,5-dimethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(3,4-dimethylphenyl)-3-pyridazinone IUPAC Name: 6-[4-(2,5-dimethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one Traditional Name: 6-[4-(2,5-dimethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one Formula: C25H30N4O5S MolecularWeight: 498.5945

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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=C(C=CC(=C4)OC)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O5S/c1-18-6-7-20(16-19(18)2)29-25(30)11-10-24(26-29)27-12-5-13-28(15-14-27)35(31,32)23-17-21(33-3)8-9-22(23)34-4/h6-11,16-17H,5,12-15H2,1-4H3