(2S,5S)-5-(hydroxymethyl)-1-methyl-2-tridecyl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one

Systemtic Name: (2S,5S)-5-(hydroxymethyl)-1-methyl-2-tridecyl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one Openeye Name: (2S,5S)-5-(hydroxymethyl)-1-methyl-2-tridecyl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one CAS Name: (2S,5S)-5-(hydroxymethyl)-1-methyl-2-tridecyl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one IUPAC Name: (2S,5S)-5-(hydroxymethyl)-1-methyl-2-tridecyl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one Traditional Name: (2S,5S)-1-methyl-5-methylol-2-tridecyl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one Formula: C25H42N2O2 MolecularWeight: 402.61318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1C(=O)NC(CC2=CC=CC=C2N1C)CO

Isomeric SMILES

CCCCCCCCCCCCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2N1C)CO

InChI

InChI=1S/C25H42N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-18-24-25(29)26-22(20-28)19-21-16-14-15-17-23(21)27(24)2/h14-17,22,24,28H,3-13,18-20H2,1-2H3,(H,26,29)/t22-,24-/m0/s1