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

Systemtic Name: (2S,5S)-9-ethyl-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one Openeye Name: (2S,5S)-9-ethyl-5-(hydroxymethyl)-2-isopropyl-1-methyl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one CAS Name: (2S,5S)-9-ethyl-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one IUPAC Name: (2S,5S)-9-ethyl-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one Traditional Name: (2S,5S)-9-ethyl-2-isopropyl-1-methyl-5-methylol-2,4,5,6-tetrahydro-1,4-benzodiazocin-3-one Formula: C17H26N2O2 MolecularWeight: 290.40054

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(CC(NC(=O)C(N2C)C(C)C)CO)C=C1

Isomeric SMILES

CCC1=CC2=C(C[C@H](NC(=O)[C@@H](N2C)C(C)C)CO)C=C1

InChI

InChI=1S/C17H26N2O2/c1-5-12-6-7-13-9-14(10-20)18-17(21)16(11(2)3)19(4)15(13)8-12/h6-8,11,14,16,20H,5,9-10H2,1-4H3,(H,18,21)/t14-,16-/m0/s1