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

Systemtic Name: 1-[2-(1,4-diazepan-1-ylcarbonyl)-4-[phenethyl-(phenylmethyl)amino]pyrrolidin-1-yl]-2-methoxy-ethanone Openeye Name: 1-[4-[benzyl(phenethyl)amino]-2-(1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-2-methoxy-ethanone CAS Name: 1-[2-[1,4-diazepan-1-yl(oxo)methyl]-4-[phenethyl-(phenylmethyl)amino]-1-pyrrolidinyl]-2-methoxyethanone IUPAC Name: 1-[4-[benzyl(phenethyl)amino]-2-(1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-2-methoxyethanone Traditional Name: 1-[4-[benzyl(phenethyl)amino]-2-(1,4-diazepane-1-carbonyl)pyrrolidino]-2-methoxy-ethanone Formula: C28H38N4O3 MolecularWeight: 478.62632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38N4O3/c1-35-22-27(33)32-21-25(19-26(32)28(34)30-16-8-14-29-15-18-30)31(20-24-11-6-3-7-12-24)17-13-23-9-4-2-5-10-23/h2-7,9-12,25-26,29H,8,13-22H2,1H3