3-(4-butoxyphenyl)-4-[(4-chlorophenyl)methyl]-1-cyclohexyl-piperazine-2,5-dione

Systemtic Name: 3-(4-butoxyphenyl)-4-[(4-chlorophenyl)methyl]-1-cyclohexyl-piperazine-2,5-dione Openeye Name: 3-(4-butoxyphenyl)-4-[(4-chlorophenyl)methyl]-1-cyclohexyl-piperazine-2,5-dione CAS Name: 3-(4-butoxyphenyl)-4-[(4-chlorophenyl)methyl]-1-cyclohexylpiperazine-2,5-dione IUPAC Name: 3-(4-butoxyphenyl)-4-[(4-chlorophenyl)methyl]-1-cyclohexylpiperazine-2,5-dione Traditional Name: 3-(4-butoxyphenyl)-4-(4-chlorobenzyl)-1-cyclohexyl-piperazine-2,5-quinone Formula: C27H33ClN2O3 MolecularWeight: 469.01552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(=O)N(CC(=O)N2CC3=CC=C(C=C3)Cl)C4CCCCC4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2C(=O)N(CC(=O)N2CC3=CC=C(C=C3)Cl)C4CCCCC4

InChI

InChI=1S/C27H33ClN2O3/c1-2-3-17-33-24-15-11-21(12-16-24)26-27(32)29(23-7-5-4-6-8-23)19-25(31)30(26)18-20-9-13-22(28)14-10-20/h9-16,23,26H,2-8,17-19H2,1H3