4-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxy-4-propan-2-yloxy-phenyl)-1-(4-methylcyclohexyl)piperazine-2,5-dione

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxy-4-propan-2-yloxy-phenyl)-1-(4-methylcyclohexyl)piperazine-2,5-dione Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(4-isopropoxy-3-methoxy-phenyl)-1-(4-methylcyclohexyl)piperazine-2,5-dione CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)-1-(4-methylcyclohexyl)piperazine-2,5-dione IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)-1-(4-methylcyclohexyl)piperazine-2,5-dione Traditional Name: 3-(4-isopropoxy-3-methoxy-phenyl)-1-(4-methylcyclohexyl)-4-piperonyl-piperazine-2,5-quinone Formula: C29H36N2O6 MolecularWeight: 508.60594

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N2CC(=O)N(C(C2=O)C3=CC(=C(C=C3)OC(C)C)OC)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1CCC(CC1)N2CC(=O)N(C(C2=O)C3=CC(=C(C=C3)OC(C)C)OC)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H36N2O6/c1-18(2)37-24-12-8-21(14-25(24)34-4)28-29(33)30(22-9-5-19(3)6-10-22)16-27(32)31(28)15-20-7-11-23-26(13-20)36-17-35-23/h7-8,11-14,18-19,22,28H,5-6,9-10,15-17H2,1-4H3