4-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexyl-3-(3,4-dimethoxyphenyl)piperazine-2,5-dione

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexyl-3-(3,4-dimethoxyphenyl)piperazine-2,5-dione Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexyl-3-(3,4-dimethoxyphenyl)piperazine-2,5-dione CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexyl-3-(3,4-dimethoxyphenyl)piperazine-2,5-dione IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexyl-3-(3,4-dimethoxyphenyl)piperazine-2,5-dione Traditional Name: 1-cyclohexyl-3-(3,4-dimethoxyphenyl)-4-piperonyl-piperazine-2,5-quinone Formula: C26H30N2O6 MolecularWeight: 466.5262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(=O)N(CC(=O)N2CC3=CC4=C(C=C3)OCO4)C5CCCCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(=O)N(CC(=O)N2CC3=CC4=C(C=C3)OCO4)C5CCCCC5)OC

InChI

InChI=1S/C26H30N2O6/c1-31-20-11-9-18(13-22(20)32-2)25-26(30)27(19-6-4-3-5-7-19)15-24(29)28(25)14-17-8-10-21-23(12-17)34-16-33-21/h8-13,19,25H,3-7,14-16H2,1-2H3