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

Systemtic Name: 1-[2-(1,4-diazepan-1-ylcarbonyl)-4-[(2-methylphenyl)methyl-phenethyl-amino]pyrrolidin-1-yl]-2-methoxy-ethanone Openeye Name: 1-[2-(1,4-diazepane-1-carbonyl)-4-[o-tolylmethyl(phenethyl)amino]pyrrolidin-1-yl]-2-methoxy-ethanone CAS Name: 1-[2-[1,4-diazepan-1-yl(oxo)methyl]-4-[(2-methylphenyl)methyl-phenethylamino]-1-pyrrolidinyl]-2-methoxyethanone IUPAC Name: 1-[2-(1,4-diazepane-1-carbonyl)-4-[(2-methylphenyl)methyl-phenethylamino]pyrrolidin-1-yl]-2-methoxyethanone Traditional Name: 1-[2-(1,4-diazepane-1-carbonyl)-4-[(2-methylbenzyl)-phenethyl-amino]pyrrolidino]-2-methoxy-ethanone Formula: C29H40N4O3 MolecularWeight: 492.6529

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)COC)C(=O)N4CCCNCC4

Isomeric SMILES

CC1=CC=CC=C1CN(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)COC)C(=O)N4CCCNCC4

InChI

InChI=1S/C29H40N4O3/c1-23-9-6-7-12-25(23)20-32(17-13-24-10-4-3-5-11-24)26-19-27(33(21-26)28(34)22-36-2)29(35)31-16-8-14-30-15-18-31/h3-7,9-12,26-27,30H,8,13-22H2,1-2H3