1-(2,3-dimethylcyclohexyl)-3-(4-methylphenyl)-4-phenethyl-piperazine-2,5-dione

Systemtic Name: 1-(2,3-dimethylcyclohexyl)-3-(4-methylphenyl)-4-phenethyl-piperazine-2,5-dione Openeye Name: 1-(2,3-dimethylcyclohexyl)-4-phenethyl-3-(p-tolyl)piperazine-2,5-dione CAS Name: 1-(2,3-dimethylcyclohexyl)-3-(4-methylphenyl)-4-phenethylpiperazine-2,5-dione IUPAC Name: 1-(2,3-dimethylcyclohexyl)-3-(4-methylphenyl)-4-phenethylpiperazine-2,5-dione Traditional Name: 1-(2,3-dimethylcyclohexyl)-4-phenethyl-3-(p-tolyl)piperazine-2,5-quinone Formula: C27H34N2O2 MolecularWeight: 418.57106

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)N2CC(=O)N(C(C2=O)C3=CC=C(C=C3)C)CCC4=CC=CC=C4

Isomeric SMILES

CC1CCCC(C1C)N2CC(=O)N(C(C2=O)C3=CC=C(C=C3)C)CCC4=CC=CC=C4

InChI

InChI=1S/C27H34N2O2/c1-19-12-14-23(15-13-19)26-27(31)29(24-11-7-8-20(2)21(24)3)18-25(30)28(26)17-16-22-9-5-4-6-10-22/h4-6,9-10,12-15,20-21,24,26H,7-8,11,16-18H2,1-3H3