1-[2-(1,4-diazepan-1-ylcarbonyl)-4-[(4-methylphenyl)methyl-phenethyl-amino]pyrrolidin-1-yl]ethanone

Systemtic Name: 1-[2-(1,4-diazepan-1-ylcarbonyl)-4-[(4-methylphenyl)methyl-phenethyl-amino]pyrrolidin-1-yl]ethanone Openeye Name: 1-[2-(1,4-diazepane-1-carbonyl)-4-[phenethyl(p-tolylmethyl)amino]pyrrolidin-1-yl]ethanone CAS Name: 1-[2-[1,4-diazepan-1-yl(oxo)methyl]-4-[(4-methylphenyl)methyl-phenethylamino]-1-pyrrolidinyl]ethanone IUPAC Name: 1-[2-(1,4-diazepane-1-carbonyl)-4-[(4-methylphenyl)methyl-phenethylamino]pyrrolidin-1-yl]ethanone Traditional Name: 1-[2-(1,4-diazepane-1-carbonyl)-4-[(4-methylbenzyl)-phenethyl-amino]pyrrolidino]ethanone Formula: C28H38N4O2 MolecularWeight: 462.62692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C)C(=O)N4CCCNCC4

Isomeric SMILES

CC1=CC=C(C=C1)CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C)C(=O)N4CCCNCC4

InChI

InChI=1S/C28H38N4O2/c1-22-9-11-25(12-10-22)20-31(17-13-24-7-4-3-5-8-24)26-19-27(32(21-26)23(2)33)28(34)30-16-6-14-29-15-18-30/h3-5,7-12,26-27,29H,6,13-21H2,1-2H3