2-(3,4-dimethylphenyl)-6-(4-propylsulfonyl-1,4-diazepan-1-yl)pyridazin-3-one

Systemtic Name: 2-(3,4-dimethylphenyl)-6-(4-propylsulfonyl-1,4-diazepan-1-yl)pyridazin-3-one Openeye Name: 2-(3,4-dimethylphenyl)-6-(4-propylsulfonyl-1,4-diazepan-1-yl)pyridazin-3-one CAS Name: 2-(3,4-dimethylphenyl)-6-(4-propylsulfonyl-1,4-diazepan-1-yl)-3-pyridazinone IUPAC Name: 2-(3,4-dimethylphenyl)-6-(4-propylsulfonyl-1,4-diazepan-1-yl)pyridazin-3-one Traditional Name: 2-(3,4-dimethylphenyl)-6-(4-propylsulfonyl-1,4-diazepan-1-yl)pyridazin-3-one Formula: C20H28N4O3S MolecularWeight: 404.52632

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCCN(CC1)C2=NN(C(=O)C=C2)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCCS(=O)(=O)N1CCCN(CC1)C2=NN(C(=O)C=C2)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C20H28N4O3S/c1-4-14-28(26,27)23-11-5-10-22(12-13-23)19-8-9-20(25)24(21-19)18-7-6-16(2)17(3)15-18/h6-9,15H,4-5,10-14H2,1-3H3