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

Systemtic Name: 4-[2-(4-chlorophenyl)ethyl]-1-cycloheptyl-3-(4-ethoxy-3-methoxy-phenyl)piperazine-2,5-dione Openeye Name: 4-[2-(4-chlorophenyl)ethyl]-1-cycloheptyl-3-(4-ethoxy-3-methoxy-phenyl)piperazine-2,5-dione CAS Name: 4-[2-(4-chlorophenyl)ethyl]-1-cycloheptyl-3-(4-ethoxy-3-methoxyphenyl)piperazine-2,5-dione IUPAC Name: 4-[2-(4-chlorophenyl)ethyl]-1-cycloheptyl-3-(4-ethoxy-3-methoxyphenyl)piperazine-2,5-dione Traditional Name: 4-[2-(4-chlorophenyl)ethyl]-1-cycloheptyl-3-(4-ethoxy-3-methoxy-phenyl)piperazine-2,5-quinone Formula: C28H35ClN2O4 MolecularWeight: 499.0415

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C(=O)N(CC(=O)N2CCC3=CC=C(C=C3)Cl)C4CCCCCC4)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2C(=O)N(CC(=O)N2CCC3=CC=C(C=C3)Cl)C4CCCCCC4)OC

InChI

InChI=1S/C28H35ClN2O4/c1-3-35-24-15-12-21(18-25(24)34-2)27-28(33)31(23-8-6-4-5-7-9-23)19-26(32)30(27)17-16-20-10-13-22(29)14-11-20/h10-15,18,23,27H,3-9,16-17,19H2,1-2H3