1-phenethyl-4-[(1R,2R)-2-phenylcyclopropyl]carbonyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one

Systemtic Name: 1-phenethyl-4-[(1R,2R)-2-phenylcyclopropyl]carbonyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Openeye Name: 1-phenethyl-4-[(1R,2R)-2-phenylcyclopropanecarbonyl]-6-(4-pyridylmethoxy)-1,4-diazepan-2-one CAS Name: 4-[oxo-[(1R,2R)-2-phenylcyclopropyl]methyl]-1-phenethyl-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one IUPAC Name: 1-phenethyl-4-[(1R,2R)-2-phenylcyclopropanecarbonyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one Traditional Name: 1-phenethyl-4-[(1R,2R)-2-phenylcyclopropanecarbonyl]-6-(4-pyridylmethoxy)-1,4-diazepan-2-one Formula: C29H31N3O3 MolecularWeight: 469.57474

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1C(=O)N2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC=NC=C4)C5=CC=CC=C5

Isomeric SMILES

C1[C@H]([C@@H]1C(=O)N2CC(CN(C(=O)C2)CCC3=CC=CC=C3)OCC4=CC=NC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N3O3/c33-28-20-32(29(34)27-17-26(27)24-9-5-2-6-10-24)19-25(35-21-23-11-14-30-15-12-23)18-31(28)16-13-22-7-3-1-4-8-22/h1-12,14-15,25-27H,13,16-21H2/t25?,26-,27+/m0/s1