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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-cycloheptyl-3-(3-methoxy-4-propoxy-phenyl)piperazine-2,5-dione Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-cycloheptyl-3-(3-methoxy-4-propoxy-phenyl)piperazine-2,5-dione CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-cycloheptyl-3-(3-methoxy-4-propoxyphenyl)piperazine-2,5-dione IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-cycloheptyl-3-(3-methoxy-4-propoxyphenyl)piperazine-2,5-dione Traditional Name: 1-cycloheptyl-3-(3-methoxy-4-propoxy-phenyl)-4-piperonyl-piperazine-2,5-quinone Formula: C29H36N2O6 MolecularWeight: 508.60594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2C(=O)N(CC(=O)N2CC3=CC4=C(C=C3)OCO4)C5CCCCCC5)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2C(=O)N(CC(=O)N2CC3=CC4=C(C=C3)OCO4)C5CCCCCC5)OC

InChI

InChI=1S/C29H36N2O6/c1-3-14-35-23-13-11-21(16-25(23)34-2)28-29(33)30(22-8-6-4-5-7-9-22)18-27(32)31(28)17-20-10-12-24-26(15-20)37-19-36-24/h10-13,15-16,22,28H,3-9,14,17-19H2,1-2H3