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

Systemtic Name: (2S,5R)-9-bromanyl-5-(hydroxymethyl)-2-propan-2-yl-2,4,5,6-tetrahydro-1H-1,4-benzodiazocin-3-one Openeye Name: (2S,5R)-9-bromo-5-(hydroxymethyl)-2-isopropyl-2,4,5,6-tetrahydro-1H-1,4-benzodiazocin-3-one CAS Name: (2S,5R)-9-bromo-5-(hydroxymethyl)-2-propan-2-yl-2,4,5,6-tetrahydro-1H-1,4-benzodiazocin-3-one IUPAC Name: (2S,5R)-9-bromo-5-(hydroxymethyl)-2-propan-2-yl-2,4,5,6-tetrahydro-1H-1,4-benzodiazocin-3-one Traditional Name: (2S,5R)-9-bromo-2-isopropyl-5-methylol-2,4,5,6-tetrahydro-1H-1,4-benzodiazocin-3-one Formula: C14H19BrN2O2 MolecularWeight: 327.21686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19BrN2O2/c1-8(2)13-14(19)16-11(7-18)5-9-3-4-10(15)6-12(9)17-13/h3-4,6,8,11,13,17-18H,5,7H2,1-2H3,(H,16,19)/t11-,13+/m1/s1