4-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-5-one

Systemtic Name: 4-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-5-one Openeye Name: 4-[(1S)-1-(hydroxymethyl)-3-methyl-butyl]-1-(3-pyridylmethyl)-1,4-diazepan-5-one CAS Name: 4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-(3-pyridinylmethyl)-1,4-diazepan-5-one IUPAC Name: 4-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-5-one Traditional Name: 4-[(1S)-3-methyl-1-methylol-butyl]-1-(3-pyridylmethyl)-1,4-diazepan-5-one Formula: C17H27N3O2 MolecularWeight: 305.41518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CO)N1CCN(CCC1=O)CC2=CN=CC=C2

Isomeric SMILES

CC(C)C[C@@H](CO)N1CCN(CCC1=O)CC2=CN=CC=C2

InChI

InChI=1S/C17H27N3O2/c1-14(2)10-16(13-21)20-9-8-19(7-5-17(20)22)12-15-4-3-6-18-11-15/h3-4,6,11,14,16,21H,5,7-10,12-13H2,1-2H3/t16-/m0/s1