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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxy-4-propoxy-phenyl)-1-(4-methylcyclohexyl)piperazine-2,5-dione Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxy-4-propoxy-phenyl)-1-(4-methylcyclohexyl)piperazine-2,5-dione CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxy-4-propoxyphenyl)-1-(4-methylcyclohexyl)piperazine-2,5-dione IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-3-(3-methoxy-4-propoxyphenyl)-1-(4-methylcyclohexyl)piperazine-2,5-dione Traditional Name: 3-(3-methoxy-4-propoxy-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:

CCCOC1=C(C=C(C=C1)C2C(=O)N(CC(=O)N2CC3=CC4=C(C=C3)OCO4)C5CCC(CC5)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2C(=O)N(CC(=O)N2CC3=CC4=C(C=C3)OCO4)C5CCC(CC5)C)OC

InChI

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