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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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