(6S)-4-(1-benzofuran-2-ylmethyl)-1-[(4-methylphenyl)methyl]-6-(phenylmethyl)piperazin-2-one

Systemtic Name: (6S)-4-(1-benzofuran-2-ylmethyl)-1-[(4-methylphenyl)methyl]-6-(phenylmethyl)piperazin-2-one Openeye Name: (6S)-4-(benzofuran-2-ylmethyl)-6-benzyl-1-(p-tolylmethyl)piperazin-2-one CAS Name: (6S)-4-(2-benzofuranylmethyl)-1-[(4-methylphenyl)methyl]-6-(phenylmethyl)-2-piperazinone IUPAC Name: (6S)-4-(1-benzofuran-2-ylmethyl)-6-benzyl-1-[(4-methylphenyl)methyl]piperazin-2-one Traditional Name: (6S)-4-(benzofuran-2-ylmethyl)-6-benzyl-1-(4-methylbenzyl)piperazin-2-one Formula: C28H28N2O2 MolecularWeight: 424.53412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(CN(CC2=O)CC3=CC4=CC=CC=C4O3)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)CN2[C@H](CN(CC2=O)CC3=CC4=CC=CC=C4O3)CC5=CC=CC=C5

InChI

InChI=1S/C28H28N2O2/c1-21-11-13-23(14-12-21)17-30-25(15-22-7-3-2-4-8-22)18-29(20-28(30)31)19-26-16-24-9-5-6-10-27(24)32-26/h2-14,16,25H,15,17-20H2,1H3/t25-/m0/s1