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

Systemtic Name: (2S,5S)-9-cyclohexadecyl-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one Openeye Name: (2S,5S)-9-cyclohexadecyl-5-(hydroxymethyl)-2-isopropyl-1-methyl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one CAS Name: (2S,5S)-9-cyclohexadecyl-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one IUPAC Name: (2S,5S)-9-cyclohexadecyl-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one Traditional Name: (2S,5S)-9-cyclohexadecyl-2-isopropyl-1-methyl-5-methylol-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one Formula: C31H52N2O2 MolecularWeight: 484.75678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)NC(CC2=C(N1C)C=C(C=C2)C3CCCCCCCCCCCCCCC3)CO

Isomeric SMILES

CC(C)[C@H]1C(=O)N[C@@H](CC2=C(N1C)C=C(C=C2)C3CCCCCCCCCCCCCCC3)CO

InChI

InChI=1S/C31H52N2O2/c1-24(2)30-31(35)32-28(23-34)21-27-20-19-26(22-29(27)33(30)3)25-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-25/h19-20,22,24-25,28,30,34H,4-18,21,23H2,1-3H3,(H,32,35)/t28-,30-/m0/s1