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

Systemtic Name: 1-[2-(1,4-diazepan-1-ylcarbonyl)-4-[phenethyl-(phenylmethyl)amino]pyrrolidin-1-yl]ethanone Openeye Name: 1-[4-[benzyl(phenethyl)amino]-2-(1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone CAS Name: 1-[2-[1,4-diazepan-1-yl(oxo)methyl]-4-[phenethyl-(phenylmethyl)amino]-1-pyrrolidinyl]ethanone IUPAC Name: 1-[4-[benzyl(phenethyl)amino]-2-(1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone Traditional Name: 1-[4-[benzyl(phenethyl)amino]-2-(1,4-diazepane-1-carbonyl)pyrrolidino]ethanone Formula: C27H36N4O2 MolecularWeight: 448.60034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(CC1C(=O)N2CCCNCC2)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CC(CC1C(=O)N2CCCNCC2)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C27H36N4O2/c1-22(32)31-21-25(19-26(31)27(33)29-16-8-14-28-15-18-29)30(20-24-11-6-3-7-12-24)17-13-23-9-4-2-5-10-23/h2-7,9-12,25-26,28H,8,13-21H2,1H3