4-(1,3-benzodioxol-5-ylmethyl)-1-cycloheptyl-3-(4-ethoxy-3-methoxy-phenyl)piperazine-2,5-dione

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-cycloheptyl-3-(4-ethoxy-3-methoxy-phenyl)piperazine-2,5-dione Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-cycloheptyl-3-(4-ethoxy-3-methoxy-phenyl)piperazine-2,5-dione CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-cycloheptyl-3-(4-ethoxy-3-methoxyphenyl)piperazine-2,5-dione IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-cycloheptyl-3-(4-ethoxy-3-methoxyphenyl)piperazine-2,5-dione Traditional Name: 1-cycloheptyl-3-(4-ethoxy-3-methoxy-phenyl)-4-piperonyl-piperazine-2,5-quinone Formula: C28H34N2O6 MolecularWeight: 494.57936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C(=O)N(CC(=O)N2CC3=CC4=C(C=C3)OCO4)C5CCCCCC5)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2C(=O)N(CC(=O)N2CC3=CC4=C(C=C3)OCO4)C5CCCCCC5)OC

InChI

InChI=1S/C28H34N2O6/c1-3-34-22-13-11-20(15-24(22)33-2)27-28(32)29(21-8-6-4-5-7-9-21)17-26(31)30(27)16-19-10-12-23-25(14-19)36-18-35-23/h10-15,21,27H,3-9,16-18H2,1-2H3