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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C2C(=O)N(CC(=O)N2CC3=CC4=C(C=C3)OCO4)C5CCCCCC5)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C2C(=O)N(CC(=O)N2CC3=CC4=C(C=C3)OCO4)C5CCCCCC5)OC

InChI

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