(2S,5S)-8-dec-1-ynyl-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one

Systemtic Name: (2S,5S)-8-dec-1-ynyl-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one Openeye Name: (2S,5S)-8-dec-1-ynyl-5-(hydroxymethyl)-2-isopropyl-1-methyl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one CAS Name: (2S,5S)-8-dec-1-ynyl-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one IUPAC Name: (2S,5S)-8-dec-1-ynyl-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one Traditional Name: (2S,5S)-8-dec-1-ynyl-2-isopropyl-1-methyl-5-methylol-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one Formula: C25H38N2O2 MolecularWeight: 398.58142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CC1=CC2=C(C=C1)N(C(C(=O)NC(C2)CO)C(C)C)C

Isomeric SMILES

CCCCCCCCC#CC1=CC2=C(C=C1)N([C@H](C(=O)N[C@@H](C2)CO)C(C)C)C

InChI

InChI=1S/C25H38N2O2/c1-5-6-7-8-9-10-11-12-13-20-14-15-23-21(16-20)17-22(18-28)26-25(29)24(19(2)3)27(23)4/h14-16,19,22,24,28H,5-11,17-18H2,1-4H3,(H,26,29)/t22-,24-/m0/s1