(2S,5S)-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-2H-1,4-benzodiazonin-3-one

Systemtic Name: (2S,5S)-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-2H-1,4-benzodiazonin-3-one Openeye Name: (2S,5S)-5-(hydroxymethyl)-2-isopropyl-1-methyl-4,5,6,7-tetrahydro-2H-1,4-benzodiazonin-3-one CAS Name: (2S,5S)-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-2H-1,4-benzodiazonin-3-one IUPAC Name: (2S,5S)-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-4,5,6,7-tetrahydro-2H-1,4-benzodiazonin-3-one Traditional Name: (2S,5S)-2-isopropyl-1-methyl-5-methylol-4,5,6,7-tetrahydro-2H-1,4-benzodiazonin-3-one Formula: C16H24N2O2 MolecularWeight: 276.37396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)NC(CCC2=CC=CC=C2N1C)CO

Isomeric SMILES

CC(C)[C@H]1C(=O)N[C@@H](CCC2=CC=CC=C2N1C)CO

InChI

InChI=1S/C16H24N2O2/c1-11(2)15-16(20)17-13(10-19)9-8-12-6-4-5-7-14(12)18(15)3/h4-7,11,13,15,19H,8-10H2,1-3H3,(H,17,20)/t13-,15-/m0/s1