2-[(2,5-dimethylphenyl)methyl]-6-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)pyridazin-3-one

Systemtic Name: 2-[(2,5-dimethylphenyl)methyl]-6-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)pyridazin-3-one Openeye Name: 2-[(2,5-dimethylphenyl)methyl]-6-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)pyridazin-3-one CAS Name: 2-[(2,5-dimethylphenyl)methyl]-6-[4-methyl-3-(1-pyrrolidinylsulfonyl)phenyl]-3-pyridazinone IUPAC Name: 2-[(2,5-dimethylphenyl)methyl]-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(2,5-dimethylbenzyl)-6-(4-methyl-3-pyrrolidinosulfonyl-phenyl)pyridazin-3-one Formula: C24H27N3O3S MolecularWeight: 437.55448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C(=O)C=CC(=N2)C3=CC(=C(C=C3)C)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C(=O)C=CC(=N2)C3=CC(=C(C=C3)C)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C24H27N3O3S/c1-17-6-7-18(2)21(14-17)16-27-24(28)11-10-22(25-27)20-9-8-19(3)23(15-20)31(29,30)26-12-4-5-13-26/h6-11,14-15H,4-5,12-13,16H2,1-3H3