1-[4,5-dimethoxy-2-[2-oxidanyl-3-[4-(phenylmethyl)piperazin-1-yl]propoxy]phenyl]-3-phenyl-propan-1-one

Systemtic Name: 1-[4,5-dimethoxy-2-[2-oxidanyl-3-[4-(phenylmethyl)piperazin-1-yl]propoxy]phenyl]-3-phenyl-propan-1-one Openeye Name: 1-[2-[3-(4-benzylpiperazin-1-yl)-2-hydroxy-propoxy]-4,5-dimethoxy-phenyl]-3-phenyl-propan-1-one CAS Name: 1-[2-[2-hydroxy-3-[4-(phenylmethyl)-1-piperazinyl]propoxy]-4,5-dimethoxyphenyl]-3-phenyl-1-propanone IUPAC Name: 1-[2-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]-4,5-dimethoxyphenyl]-3-phenylpropan-1-one Traditional Name: 1-[2-[3-(4-benzylpiperazino)-2-hydroxy-propoxy]-4,5-dimethoxy-phenyl]-3-phenyl-propan-1-one Formula: C31H38N2O5 MolecularWeight: 518.64382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)CCC2=CC=CC=C2)OCC(CN3CCN(CC3)CC4=CC=CC=C4)O)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)CCC2=CC=CC=C2)OCC(CN3CCN(CC3)CC4=CC=CC=C4)O)OC

InChI

InChI=1S/C31H38N2O5/c1-36-30-19-27(28(35)14-13-24-9-5-3-6-10-24)29(20-31(30)37-2)38-23-26(34)22-33-17-15-32(16-18-33)21-25-11-7-4-8-12-25/h3-12,19-20,26,34H,13-18,21-23H2,1-2H3