(2S,5S)-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-4,5-dihydro-2H-1,4-benzodiazepin-3-one

Systemtic Name: (2S,5S)-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-4,5-dihydro-2H-1,4-benzodiazepin-3-one Openeye Name: (2S,5S)-5-(hydroxymethyl)-2-isopropyl-1-methyl-4,5-dihydro-2H-1,4-benzodiazepin-3-one CAS Name: (2S,5S)-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-4,5-dihydro-2H-1,4-benzodiazepin-3-one IUPAC Name: (2S,5S)-5-(hydroxymethyl)-1-methyl-2-propan-2-yl-4,5-dihydro-2H-1,4-benzodiazepin-3-one Traditional Name: (2S,5S)-2-isopropyl-1-methyl-5-methylol-4,5-dihydro-2H-1,4-benzodiazepin-3-one Formula: C14H20N2O2 MolecularWeight: 248.3208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)NC(C2=CC=CC=C2N1C)CO

Isomeric SMILES

CC(C)[C@H]1C(=O)N[C@@H](C2=CC=CC=C2N1C)CO

InChI

InChI=1S/C14H20N2O2/c1-9(2)13-14(18)15-11(8-17)10-6-4-5-7-12(10)16(13)3/h4-7,9,11,13,17H,8H2,1-3H3,(H,15,18)/t11-,13+/m1/s1