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

Systemtic Name: 3-(4-chlorophenyl)-1-cycloheptyl-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-2,5-dione Openeye Name: 3-(4-chlorophenyl)-1-cycloheptyl-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-2,5-dione CAS Name: 3-(4-chlorophenyl)-1-cycloheptyl-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-2,5-dione IUPAC Name: 3-(4-chlorophenyl)-1-cycloheptyl-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-2,5-dione Traditional Name: 3-(4-chlorophenyl)-1-cycloheptyl-4-homoveratryl-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)CCN2C(C(=O)N(CC2=O)C3CCCCCC3)C4=CC=C(C=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(C(=O)N(CC2=O)C3CCCCCC3)C4=CC=C(C=C4)Cl)OC

InChI

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