3-(2,3-dimethoxyphenyl)-1-(4-methylcyclohexyl)-4-phenethyl-piperazine-2,5-dione

Systemtic Name: 3-(2,3-dimethoxyphenyl)-1-(4-methylcyclohexyl)-4-phenethyl-piperazine-2,5-dione Openeye Name: 3-(2,3-dimethoxyphenyl)-1-(4-methylcyclohexyl)-4-phenethyl-piperazine-2,5-dione CAS Name: 3-(2,3-dimethoxyphenyl)-1-(4-methylcyclohexyl)-4-phenethylpiperazine-2,5-dione IUPAC Name: 3-(2,3-dimethoxyphenyl)-1-(4-methylcyclohexyl)-4-phenethylpiperazine-2,5-dione Traditional Name: 3-(2,3-dimethoxyphenyl)-1-(4-methylcyclohexyl)-4-phenethyl-piperazine-2,5-quinone Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N2CC(=O)N(C(C2=O)C3=C(C(=CC=C3)OC)OC)CCC4=CC=CC=C4

Isomeric SMILES

CC1CCC(CC1)N2CC(=O)N(C(C2=O)C3=C(C(=CC=C3)OC)OC)CCC4=CC=CC=C4

InChI

InChI=1S/C27H34N2O4/c1-19-12-14-21(15-13-19)29-18-24(30)28(17-16-20-8-5-4-6-9-20)25(27(29)31)22-10-7-11-23(32-2)26(22)33-3/h4-11,19,21,25H,12-18H2,1-3H3