(3S,6R,7R)-7-(hydroxymethyl)-1-methyl-6-oxidanyl-3-(phenylmethyl)-1,4-diazepan-2-one

Systemtic Name: (3S,6R,7R)-7-(hydroxymethyl)-1-methyl-6-oxidanyl-3-(phenylmethyl)-1,4-diazepan-2-one Openeye Name: (3S,6R,7R)-3-benzyl-6-hydroxy-7-(hydroxymethyl)-1-methyl-1,4-diazepan-2-one CAS Name: (3S,6R,7R)-6-hydroxy-7-(hydroxymethyl)-1-methyl-3-(phenylmethyl)-1,4-diazepan-2-one IUPAC Name: (3S,6R,7R)-3-benzyl-6-hydroxy-7-(hydroxymethyl)-1-methyl-1,4-diazepan-2-one Traditional Name: (3S,6R,7R)-3-benzyl-6-hydroxy-1-methyl-7-methylol-1,4-diazepan-2-one Formula: C14H20N2O3 MolecularWeight: 264.3202

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(CNC(C1=O)CC2=CC=CC=C2)O)CO

Isomeric SMILES

CN1[C@@H]([C@@H](CN[C@H](C1=O)CC2=CC=CC=C2)O)CO

InChI

InChI=1S/C14H20N2O3/c1-16-12(9-17)13(18)8-15-11(14(16)19)7-10-5-3-2-4-6-10/h2-6,11-13,15,17-18H,7-9H2,1H3/t11-,12+,13+/m0/s1