4-[2-(4-chlorophenyl)ethyl]-1-cycloheptyl-3-(3,4-dimethoxyphenyl)piperazine-2,5-dione

Systemtic Name: 4-[2-(4-chlorophenyl)ethyl]-1-cycloheptyl-3-(3,4-dimethoxyphenyl)piperazine-2,5-dione Openeye Name: 4-[2-(4-chlorophenyl)ethyl]-1-cycloheptyl-3-(3,4-dimethoxyphenyl)piperazine-2,5-dione CAS Name: 4-[2-(4-chlorophenyl)ethyl]-1-cycloheptyl-3-(3,4-dimethoxyphenyl)piperazine-2,5-dione IUPAC Name: 4-[2-(4-chlorophenyl)ethyl]-1-cycloheptyl-3-(3,4-dimethoxyphenyl)piperazine-2,5-dione Traditional Name: 4-[2-(4-chlorophenyl)ethyl]-1-cycloheptyl-3-(3,4-dimethoxyphenyl)piperazine-2,5-quinone Formula: C27H33ClN2O4 MolecularWeight: 485.01492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33ClN2O4/c1-33-23-14-11-20(17-24(23)34-2)26-27(32)30(22-7-5-3-4-6-8-22)18-25(31)29(26)16-15-19-9-12-21(28)13-10-19/h9-14,17,22,26H,3-8,15-16,18H2,1-2H3