1-cycloheptyl-3-(4-ethoxy-3-methoxy-phenyl)-4-phenethyl-piperazine-2,5-dione

Systemtic Name: 1-cycloheptyl-3-(4-ethoxy-3-methoxy-phenyl)-4-phenethyl-piperazine-2,5-dione Openeye Name: 1-cycloheptyl-3-(4-ethoxy-3-methoxy-phenyl)-4-phenethyl-piperazine-2,5-dione CAS Name: 1-cycloheptyl-3-(4-ethoxy-3-methoxyphenyl)-4-phenethylpiperazine-2,5-dione IUPAC Name: 1-cycloheptyl-3-(4-ethoxy-3-methoxyphenyl)-4-phenethylpiperazine-2,5-dione Traditional Name: 1-cycloheptyl-3-(4-ethoxy-3-methoxy-phenyl)-4-phenethyl-piperazine-2,5-quinone Formula: C28H36N2O4 MolecularWeight: 464.59644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N2O4/c1-3-34-24-16-15-22(19-25(24)33-2)27-28(32)30(23-13-9-4-5-10-14-23)20-26(31)29(27)18-17-21-11-7-6-8-12-21/h6-8,11-12,15-16,19,23,27H,3-5,9-10,13-14,17-18,20H2,1-2H3