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

Systemtic Name: 2-[(2-methylphenyl)methyl]-6-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)pyridazin-3-one Openeye Name: 6-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-(o-tolylmethyl)pyridazin-3-one CAS Name: 2-[(2-methylphenyl)methyl]-6-[4-methyl-3-(1-pyrrolidinylsulfonyl)phenyl]-3-pyridazinone IUPAC Name: 2-[(2-methylphenyl)methyl]-6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)pyridazin-3-one Traditional Name: 2-(2-methylbenzyl)-6-(4-methyl-3-pyrrolidinosulfonyl-phenyl)pyridazin-3-one Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC3=CC=CC=C3C)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC3=CC=CC=C3C)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H25N3O3S/c1-17-7-3-4-8-20(17)16-26-23(27)12-11-21(24-26)19-10-9-18(2)22(15-19)30(28,29)25-13-5-6-14-25/h3-4,7-12,15H,5-6,13-14,16H2,1-2H3