N-(2,6-dimethylphenyl)-1-(2,2-diphenylethanoyl)-5-oxidanylidene-3,6-bis(phenylmethyl)piperazine-2-carboxamide

Systemtic Name: N-(2,6-dimethylphenyl)-1-(2,2-diphenylethanoyl)-5-oxidanylidene-3,6-bis(phenylmethyl)piperazine-2-carboxamide Openeye Name: 3,6-dibenzyl-N-(2,6-dimethylphenyl)-1-(2,2-diphenylacetyl)-5-oxo-piperazine-2-carboxamide CAS Name: N-(2,6-dimethylphenyl)-5-oxo-1-(1-oxo-2,2-diphenylethyl)-3,6-bis(phenylmethyl)-2-piperazinecarboxamide IUPAC Name: 3,6-dibenzyl-N-(2,6-dimethylphenyl)-1-(2,2-diphenylacetyl)-5-oxopiperazine-2-carboxamide Traditional Name: 3,6-dibenzyl-N-(2,6-dimethylphenyl)-1-(2,2-diphenylacetyl)-5-keto-piperazine-2-carboxamide Formula: C41H39N3O3 MolecularWeight: 621.76666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2C(NC(=O)C(N2C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2C(NC(=O)C(N2C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C41H39N3O3/c1-28-16-15-17-29(2)37(28)43-40(46)38-34(26-30-18-7-3-8-19-30)42-39(45)35(27-31-20-9-4-10-21-31)44(38)41(47)36(32-22-11-5-12-23-32)33-24-13-6-14-25-33/h3-25,34-36,38H,26-27H2,1-2H3,(H,42,45)(H,43,46)