4-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-1-phenethyl-piperazine-2,5-dione

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-1-phenethyl-piperazine-2,5-dione Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-1-phenethyl-piperazine-2,5-dione CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-1-phenethylpiperazine-2,5-dione IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)-1-phenethylpiperazine-2,5-dione Traditional Name: 3-(4-methoxyphenyl)-1-phenethyl-4-piperonyl-piperazine-2,5-quinone Formula: C27H26N2O5 MolecularWeight: 458.50574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(=O)N(CC(=O)N2CC3=CC4=C(C=C3)OCO4)CCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2C(=O)N(CC(=O)N2CC3=CC4=C(C=C3)OCO4)CCC5=CC=CC=C5

InChI

InChI=1S/C27H26N2O5/c1-32-22-10-8-21(9-11-22)26-27(31)28(14-13-19-5-3-2-4-6-19)17-25(30)29(26)16-20-7-12-23-24(15-20)34-18-33-23/h2-12,15,26H,13-14,16-18H2,1H3