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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-1-(4-methylcyclohexyl)-4-phenethyl-piperazine-2,5-dione Openeye Name: 3-(3,4-dimethoxyphenyl)-1-(4-methylcyclohexyl)-4-phenethyl-piperazine-2,5-dione CAS Name: 3-(3,4-dimethoxyphenyl)-1-(4-methylcyclohexyl)-4-phenethylpiperazine-2,5-dione IUPAC Name: 3-(3,4-dimethoxyphenyl)-1-(4-methylcyclohexyl)-4-phenethylpiperazine-2,5-dione Traditional Name: 3-(3,4-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=CC(=C(C=C3)OC)OC)CCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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