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

Systemtic Name: 6-(4-methylphenyl)-2-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]pyridazin-3-one Openeye Name: 2-[2-[4-(2-naphthylsulfonyl)piperazin-1-yl]ethyl]-6-(p-tolyl)pyridazin-3-one CAS Name: 6-(4-methylphenyl)-2-[2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]ethyl]-3-pyridazinone IUPAC Name: 6-(4-methylphenyl)-2-[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]pyridazin-3-one Traditional Name: 2-[2-[4-(2-naphthylsulfonyl)piperazino]ethyl]-6-(p-tolyl)pyridazin-3-one Formula: C27H28N4O3S MolecularWeight: 488.60122

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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)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCN3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C27H28N4O3S/c1-21-6-8-23(9-7-21)26-12-13-27(32)31(28-26)19-16-29-14-17-30(18-15-29)35(33,34)25-11-10-22-4-2-3-5-24(22)20-25/h2-13,20H,14-19H2,1H3