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

Systemtic Name: (2S,5S)-5-(hydroxymethyl)-1-methyl-9-oct-1-ynyl-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one Openeye Name: (2S,5S)-5-(hydroxymethyl)-2-isopropyl-1-methyl-9-oct-1-ynyl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one CAS Name: (2S,5S)-5-(hydroxymethyl)-1-methyl-9-oct-1-ynyl-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one IUPAC Name: (2S,5S)-5-(hydroxymethyl)-1-methyl-9-oct-1-ynyl-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one Traditional Name: (2S,5S)-2-isopropyl-1-methyl-5-methylol-9-oct-1-ynyl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one Formula: C23H34N2O2 MolecularWeight: 370.52826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=CC2=C(CC(NC(=O)C(N2C)C(C)C)CO)C=C1

Isomeric SMILES

CCCCCCC#CC1=CC2=C(C[C@H](NC(=O)[C@@H](N2C)C(C)C)CO)C=C1

InChI

InChI=1S/C23H34N2O2/c1-5-6-7-8-9-10-11-18-12-13-19-15-20(16-26)24-23(27)22(17(2)3)25(4)21(19)14-18/h12-14,17,20,22,26H,5-9,15-16H2,1-4H3,(H,24,27)/t20-,22-/m0/s1