6-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-phenethyl-pyridazin-3-one

Systemtic Name: 6-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-phenethyl-pyridazin-3-one Openeye Name: 6-(4-methyl-3-pyrrolidin-1-ylsulfonyl-phenyl)-2-phenethyl-pyridazin-3-one CAS Name: 6-[4-methyl-3-(1-pyrrolidinylsulfonyl)phenyl]-2-phenethyl-3-pyridazinone IUPAC Name: 6-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenethylpyridazin-3-one Traditional Name: 6-(4-methyl-3-pyrrolidinosulfonyl-phenyl)-2-phenethyl-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)CCC3=CC=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CCC3=CC=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H25N3O3S/c1-18-9-10-20(17-22(18)30(28,29)25-14-5-6-15-25)21-11-12-23(27)26(24-21)16-13-19-7-3-2-4-8-19/h2-4,7-12,17H,5-6,13-16H2,1H3