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

Systemtic Name: 6-(4-methoxyphenyl)-2-[2-(4-phenethylsulfonylpiperazin-1-yl)ethyl]pyridazin-3-one Openeye Name: 6-(4-methoxyphenyl)-2-[2-(4-phenethylsulfonylpiperazin-1-yl)ethyl]pyridazin-3-one CAS Name: 6-(4-methoxyphenyl)-2-[2-(4-phenethylsulfonyl-1-piperazinyl)ethyl]-3-pyridazinone IUPAC Name: 6-(4-methoxyphenyl)-2-[2-(4-phenethylsulfonylpiperazin-1-yl)ethyl]pyridazin-3-one Traditional Name: 6-(4-methoxyphenyl)-2-[2-(4-phenethylsulfonylpiperazino)ethyl]pyridazin-3-one Formula: C25H30N4O4S MolecularWeight: 482.5951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCN3CCN(CC3)S(=O)(=O)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCN3CCN(CC3)S(=O)(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O4S/c1-33-23-9-7-22(8-10-23)24-11-12-25(30)29(26-24)19-16-27-14-17-28(18-15-27)34(31,32)20-13-21-5-3-2-4-6-21/h2-12H,13-20H2,1H3