4-(1,3-benzodioxol-5-ylmethyl)-1-cycloheptyl-3-(4-methylphenyl)piperazine-2,5-dione

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-cycloheptyl-3-(4-methylphenyl)piperazine-2,5-dione Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-cycloheptyl-3-(p-tolyl)piperazine-2,5-dione CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-cycloheptyl-3-(4-methylphenyl)piperazine-2,5-dione IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-1-cycloheptyl-3-(4-methylphenyl)piperazine-2,5-dione Traditional Name: 1-cycloheptyl-4-piperonyl-3-(p-tolyl)piperazine-2,5-quinone Formula: C26H30N2O4 MolecularWeight: 434.5274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=O)N(CC(=O)N2CC3=CC4=C(C=C3)OCO4)C5CCCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)C2C(=O)N(CC(=O)N2CC3=CC4=C(C=C3)OCO4)C5CCCCCC5

InChI

InChI=1S/C26H30N2O4/c1-18-8-11-20(12-9-18)25-26(30)27(21-6-4-2-3-5-7-21)16-24(29)28(25)15-19-10-13-22-23(14-19)32-17-31-22/h8-14,21,25H,2-7,15-17H2,1H3