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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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