3-methyl-5-[[4-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]methyl]-1H-pyridazin-6-one

Systemtic Name: 3-methyl-5-[[4-[4-(phenylmethyl)piperazin-1-yl]sulfonylphenyl]methyl]-1H-pyridazin-6-one Openeye Name: 5-[[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]methyl]-3-methyl-1H-pyridazin-6-one CAS Name: 3-methyl-5-[[4-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]phenyl]methyl]-1H-pyridazin-6-one IUPAC Name: 5-[[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]methyl]-3-methyl-1H-pyridazin-6-one Traditional Name: 5-[4-(4-benzylpiperazino)sulfonylbenzyl]-3-methyl-1H-pyridazin-6-one Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)C(=C1)CC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NNC(=O)C(=C1)CC2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S/c1-18-15-21(23(28)25-24-18)16-19-7-9-22(10-8-19)31(29,30)27-13-11-26(12-14-27)17-20-5-3-2-4-6-20/h2-10,15H,11-14,16-17H2,1H3,(H,25,28)