N-(4-azanylcyclohexyl)-1-ethanoyl-4-[(2-methylphenyl)methyl-phenethyl-amino]pyrrolidine-2-carboxamide

Systemtic Name: N-(4-azanylcyclohexyl)-1-ethanoyl-4-[(2-methylphenyl)methyl-phenethyl-amino]pyrrolidine-2-carboxamide Openeye Name: 1-acetyl-N-(4-aminocyclohexyl)-4-[o-tolylmethyl(phenethyl)amino]pyrrolidine-2-carboxamide CAS Name: 1-acetyl-N-(4-aminocyclohexyl)-4-[(2-methylphenyl)methyl-phenethylamino]-2-pyrrolidinecarboxamide IUPAC Name: 1-acetyl-N-(4-aminocyclohexyl)-4-[(2-methylphenyl)methyl-phenethylamino]pyrrolidine-2-carboxamide Traditional Name: 1-acetyl-N-(4-aminocyclohexyl)-4-[(2-methylbenzyl)-phenethyl-amino]pyrrolidine-2-carboxamide Formula: C29H40N4O2 MolecularWeight: 476.6535

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C)C(=O)NC4CCC(CC4)N

Isomeric SMILES

CC1=CC=CC=C1CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C)C(=O)NC4CCC(CC4)N

InChI

InChI=1S/C29H40N4O2/c1-21-8-6-7-11-24(21)19-32(17-16-23-9-4-3-5-10-23)27-18-28(33(20-27)22(2)34)29(35)31-26-14-12-25(30)13-15-26/h3-11,25-28H,12-20,30H2,1-2H3,(H,31,35)