6-(4-methylphenyl)-2-[2-(4-phenethylsulfonylpiperazin-1-yl)ethyl]pyridazin-3-one

Systemtic Name: 6-(4-methylphenyl)-2-[2-(4-phenethylsulfonylpiperazin-1-yl)ethyl]pyridazin-3-one Openeye Name: 2-[2-(4-phenethylsulfonylpiperazin-1-yl)ethyl]-6-(p-tolyl)pyridazin-3-one CAS Name: 6-(4-methylphenyl)-2-[2-(4-phenethylsulfonyl-1-piperazinyl)ethyl]-3-pyridazinone IUPAC Name: 6-(4-methylphenyl)-2-[2-(4-phenethylsulfonylpiperazin-1-yl)ethyl]pyridazin-3-one Traditional Name: 2-[2-(4-phenethylsulfonylpiperazino)ethyl]-6-(p-tolyl)pyridazin-3-one Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCN3CCN(CC3)S(=O)(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCN3CCN(CC3)S(=O)(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O3S/c1-21-7-9-23(10-8-21)24-11-12-25(30)29(26-24)19-16-27-14-17-28(18-15-27)33(31,32)20-13-22-5-3-2-4-6-22/h2-12H,13-20H2,1H3