5-[4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazin-1-yl]-2-phenyl-4-phenylmethoxy-pyridazin-3-one

Systemtic Name: 5-[4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazin-1-yl]-2-phenyl-4-phenylmethoxy-pyridazin-3-one Openeye Name: 4-benzyloxy-5-[4-[(3-methylbenzothiophen-2-yl)methyl]piperazin-1-yl]-2-phenyl-pyridazin-3-one CAS Name: 5-[4-[(3-methyl-1-benzothiophen-2-yl)methyl]-1-piperazinyl]-2-phenyl-4-phenylmethoxy-3-pyridazinone IUPAC Name: 5-[4-[(3-methyl-1-benzothiophen-2-yl)methyl]piperazin-1-yl]-2-phenyl-4-phenylmethoxypyridazin-3-one Traditional Name: 4-benzoxy-5-[4-[(3-methylbenzothiophen-2-yl)methyl]piperazino]-2-phenyl-pyridazin-3-one Formula: C31H30N4O2S MolecularWeight: 522.6605

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)CN3CCN(CC3)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)CN3CCN(CC3)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C31H30N4O2S/c1-23-26-14-8-9-15-28(26)38-29(23)21-33-16-18-34(19-17-33)27-20-32-35(25-12-6-3-7-13-25)31(36)30(27)37-22-24-10-4-2-5-11-24/h2-15,20H,16-19,21-22H2,1H3