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

Systemtic Name: (2S,5S)-9-bromanyl-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one Openeye Name: (2S,5S)-9-bromo-5-(hydroxymethyl)-2-isopropyl-1-methyl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one CAS Name: (2S,5S)-9-bromo-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one IUPAC Name: (2S,5S)-9-bromo-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one Traditional Name: (2S,5S)-9-bromo-2-isopropyl-1-methyl-5-methylol-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one Formula: C15H21BrN2O2 MolecularWeight: 341.24344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)NC(CC2=C(N1C)C=C(C=C2)Br)CO

Isomeric SMILES

CC(C)[C@H]1C(=O)N[C@@H](CC2=C(N1C)C=C(C=C2)Br)CO

InChI

InChI=1S/C15H21BrN2O2/c1-9(2)14-15(20)17-12(8-19)6-10-4-5-11(16)7-13(10)18(14)3/h4-5,7,9,12,14,19H,6,8H2,1-3H3,(H,17,20)/t12-,14-/m0/s1