4-chloranyl-2-(phenylmethyl)-5-[4-(phenylmethyl)sulfonylpiperazin-1-yl]pyridazin-3-one

Systemtic Name: 4-chloranyl-2-(phenylmethyl)-5-[4-(phenylmethyl)sulfonylpiperazin-1-yl]pyridazin-3-one Openeye Name: 2-benzyl-5-(4-benzylsulfonylpiperazin-1-yl)-4-chloro-pyridazin-3-one CAS Name: 4-chloro-2-(phenylmethyl)-5-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-3-pyridazinone IUPAC Name: 2-benzyl-5-(4-benzylsulfonylpiperazin-1-yl)-4-chloropyridazin-3-one Traditional Name: 2-benzyl-5-(4-benzylsulfonylpiperazino)-4-chloro-pyridazin-3-one Formula: C22H23ClN4O3S MolecularWeight: 458.96102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(N=C2)CC3=CC=CC=C3)Cl)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(N=C2)CC3=CC=CC=C3)Cl)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H23ClN4O3S/c23-21-20(15-24-27(22(21)28)16-18-7-3-1-4-8-18)25-11-13-26(14-12-25)31(29,30)17-19-9-5-2-6-10-19/h1-10,15H,11-14,16-17H2