1-cycloheptyl-3-(4-methoxyphenyl)-4-phenethyl-piperazine-2,5-dione

Systemtic Name: 1-cycloheptyl-3-(4-methoxyphenyl)-4-phenethyl-piperazine-2,5-dione Openeye Name: 1-cycloheptyl-3-(4-methoxyphenyl)-4-phenethyl-piperazine-2,5-dione CAS Name: 1-cycloheptyl-3-(4-methoxyphenyl)-4-phenethylpiperazine-2,5-dione IUPAC Name: 1-cycloheptyl-3-(4-methoxyphenyl)-4-phenethylpiperazine-2,5-dione Traditional Name: 1-cycloheptyl-3-(4-methoxyphenyl)-4-phenethyl-piperazine-2,5-quinone Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O3/c1-31-23-15-13-21(14-16-23)25-26(30)28(22-11-7-2-3-8-12-22)19-24(29)27(25)18-17-20-9-5-4-6-10-20/h4-6,9-10,13-16,22,25H,2-3,7-8,11-12,17-19H2,1H3