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

Systemtic Name: 1-cycloheptyl-4-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)piperazine-2,5-dione Openeye Name: 1-cycloheptyl-4-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)piperazine-2,5-dione CAS Name: 1-cycloheptyl-4-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)piperazine-2,5-dione IUPAC Name: 1-cycloheptyl-4-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)piperazine-2,5-dione Traditional Name: 1-cycloheptyl-3-(2-fluorophenyl)-4-homoveratryl-piperazine-2,5-quinone Formula: C27H33FN2O4 MolecularWeight: 468.560323

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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=CC=C4F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(C(=O)N(CC2=O)C3CCCCCC3)C4=CC=CC=C4F)OC

InChI

InChI=1S/C27H33FN2O4/c1-33-23-14-13-19(17-24(23)34-2)15-16-29-25(31)18-30(20-9-5-3-4-6-10-20)27(32)26(29)21-11-7-8-12-22(21)28/h7-8,11-14,17,20,26H,3-6,9-10,15-16,18H2,1-2H3