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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-cyclohexyl-3-(4-methoxyphenyl)piperazine-2,5-dione Traditional Name: 1-cyclohexyl-3-(4-methoxyphenyl)-4-piperonyl-piperazine-2,5-quinone Formula: C25H28N2O5 MolecularWeight: 436.50022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O5/c1-30-20-10-8-18(9-11-20)24-25(29)26(19-5-3-2-4-6-19)15-23(28)27(24)14-17-7-12-21-22(13-17)32-16-31-21/h7-13,19,24H,2-6,14-16H2,1H3