4-(1-benzothiophen-2-ylcarbonyl)-1-[(4-methoxyphenyl)methyl]-6-phenethyl-piperazin-2-one

Systemtic Name: 4-(1-benzothiophen-2-ylcarbonyl)-1-[(4-methoxyphenyl)methyl]-6-phenethyl-piperazin-2-one Openeye Name: 4-(benzothiophene-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-6-phenethyl-piperazin-2-one CAS Name: 4-[1-benzothiophen-2-yl(oxo)methyl]-1-[(4-methoxyphenyl)methyl]-6-phenethyl-2-piperazinone IUPAC Name: 4-(1-benzothiophene-2-carbonyl)-1-[(4-methoxyphenyl)methyl]-6-phenethylpiperazin-2-one Traditional Name: 4-(benzothiophene-2-carbonyl)-1-p-anisyl-6-phenethyl-piperazin-2-one Formula: C29H28N2O3S MolecularWeight: 484.60922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(CN(CC2=O)C(=O)C3=CC4=CC=CC=C4S3)CCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(CN(CC2=O)C(=O)C3=CC4=CC=CC=C4S3)CCC5=CC=CC=C5

InChI

InChI=1S/C29H28N2O3S/c1-34-25-15-12-22(13-16-25)18-31-24(14-11-21-7-3-2-4-8-21)19-30(20-28(31)32)29(33)27-17-23-9-5-6-10-26(23)35-27/h2-10,12-13,15-17,24H,11,14,18-20H2,1H3