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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(=O)N(CC(=O)N2CC3=CC=CC=C3Cl)C4CCCCC4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2C(=O)N(CC(=O)N2CC3=CC=CC=C3Cl)C4CCCCC4

InChI

InChI=1S/C27H33ClN2O3/c1-2-3-17-33-23-15-13-20(14-16-23)26-27(32)29(22-10-5-4-6-11-22)19-25(31)30(26)18-21-9-7-8-12-24(21)28/h7-9,12-16,22,26H,2-6,10-11,17-19H2,1H3