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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(=O)N(CC(=O)N2CCC3=CC=CC=C3)C4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(=O)N(CC(=O)N2CCC3=CC=CC=C3)C4CCCCCC4)OC

InChI

InChI=1S/C27H34N2O4/c1-32-23-15-14-21(18-24(23)33-2)26-27(31)29(22-12-8-3-4-9-13-22)19-25(30)28(26)17-16-20-10-6-5-7-11-20/h5-7,10-11,14-15,18,22,26H,3-4,8-9,12-13,16-17,19H2,1-2H3