4-[(2S)-1-azido-3-methyl-butan-2-yl]-1-(phenylmethyl)-1,4-diazepan-5-one

Systemtic Name: 4-[(2S)-1-azido-3-methyl-butan-2-yl]-1-(phenylmethyl)-1,4-diazepan-5-one Openeye Name: 4-[(1S)-1-(azidomethyl)-2-methyl-propyl]-1-benzyl-1,4-diazepan-5-one CAS Name: 4-[(2S)-1-azido-3-methylbutan-2-yl]-1-(phenylmethyl)-1,4-diazepan-5-one IUPAC Name: 4-[(2S)-1-azido-3-methylbutan-2-yl]-1-benzyl-1,4-diazepan-5-one Traditional Name: 4-[(1S)-1-(azidomethyl)-2-methyl-propyl]-1-benzyl-1,4-diazepan-5-one Formula: C17H25N5O MolecularWeight: 315.4133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CN=[N+]=[N-])N1CCN(CCC1=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](CN=[N+]=[N-])N1CCN(CCC1=O)CC2=CC=CC=C2

InChI

InChI=1S/C17H25N5O/c1-14(2)16(12-19-20-18)22-11-10-21(9-8-17(22)23)13-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3/t16-/m1/s1