6-(4-ethoxyphenyl)-2-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]pyridazin-3-one

Systemtic Name: 6-(4-ethoxyphenyl)-2-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]pyridazin-3-one Openeye Name: 6-(4-ethoxyphenyl)-2-[2-[4-(2-naphthylsulfonyl)piperazin-1-yl]ethyl]pyridazin-3-one CAS Name: 6-(4-ethoxyphenyl)-2-[2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]ethyl]-3-pyridazinone IUPAC Name: 6-(4-ethoxyphenyl)-2-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]pyridazin-3-one Traditional Name: 2-[2-[4-(2-naphthylsulfonyl)piperazino]ethyl]-6-p-phenetyl-pyridazin-3-one Formula: C28H30N4O4S MolecularWeight: 518.6272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCN3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCN3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H30N4O4S/c1-2-36-25-10-7-23(8-11-25)27-13-14-28(33)32(29-27)20-17-30-15-18-31(19-16-30)37(34,35)26-12-9-22-5-3-4-6-24(22)21-26/h3-14,21H,2,15-20H2,1H3