(2S,5S)-5-(hydroxymethyl)-9-phenylmethoxy-2-propan-2-yl-2,4,5,6-tetrahydro-1H-1,4-benzodiazocin-3-one

Systemtic Name: (2S,5S)-5-(hydroxymethyl)-9-phenylmethoxy-2-propan-2-yl-2,4,5,6-tetrahydro-1H-1,4-benzodiazocin-3-one Openeye Name: (2S,5S)-9-benzyloxy-5-(hydroxymethyl)-2-isopropyl-2,4,5,6-tetrahydro-1H-1,4-benzodiazocin-3-one CAS Name: (2S,5S)-5-(hydroxymethyl)-9-phenylmethoxy-2-propan-2-yl-2,4,5,6-tetrahydro-1H-1,4-benzodiazocin-3-one IUPAC Name: (2S,5S)-5-(hydroxymethyl)-9-phenylmethoxy-2-propan-2-yl-2,4,5,6-tetrahydro-1H-1,4-benzodiazocin-3-one Traditional Name: (2S,5S)-9-benzoxy-2-isopropyl-5-methylol-2,4,5,6-tetrahydro-1H-1,4-benzodiazocin-3-one Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)NC(CC2=C(N1)C=C(C=C2)OCC3=CC=CC=C3)CO

Isomeric SMILES

CC(C)[C@H]1C(=O)N[C@@H](CC2=C(N1)C=C(C=C2)OCC3=CC=CC=C3)CO

InChI

InChI=1S/C21H26N2O3/c1-14(2)20-21(25)22-17(12-24)10-16-8-9-18(11-19(16)23-20)26-13-15-6-4-3-5-7-15/h3-9,11,14,17,20,23-24H,10,12-13H2,1-2H3,(H,22,25)/t17-,20-/m0/s1