(2S,5S)-5-(hydroxymethyl)-2-propan-2-yl-2,4,5,6-tetrahydro-1H-1,4-benzodiazocin-3-one

Systemtic Name: (2S,5S)-5-(hydroxymethyl)-2-propan-2-yl-2,4,5,6-tetrahydro-1H-1,4-benzodiazocin-3-one Openeye Name: (2S,5S)-5-(hydroxymethyl)-2-isopropyl-2,4,5,6-tetrahydro-1H-1,4-benzodiazocin-3-one CAS Name: (2S,5S)-5-(hydroxymethyl)-2-propan-2-yl-2,4,5,6-tetrahydro-1H-1,4-benzodiazocin-3-one IUPAC Name: (2S,5S)-5-(hydroxymethyl)-2-propan-2-yl-2,4,5,6-tetrahydro-1H-1,4-benzodiazocin-3-one Traditional Name: (2S,5S)-2-isopropyl-5-methylol-2,4,5,6-tetrahydro-1H-1,4-benzodiazocin-3-one Formula: C14H20N2O2 MolecularWeight: 248.3208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)NC(CC2=CC=CC=C2N1)CO

Isomeric SMILES

CC(C)[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2N1)CO

InChI

InChI=1S/C14H20N2O2/c1-9(2)13-14(18)15-11(8-17)7-10-5-3-4-6-12(10)16-13/h3-6,9,11,13,16-17H,7-8H2,1-2H3,(H,15,18)/t11-,13-/m0/s1