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

Systemtic Name: 4-[(2S)-1-azido-4-methyl-pentan-2-yl]-1-(phenylmethyl)-1,4-diazepan-5-one Openeye Name: 4-[(1S)-1-(azidomethyl)-3-methyl-butyl]-1-benzyl-1,4-diazepan-5-one CAS Name: 4-[(2S)-1-azido-4-methylpentan-2-yl]-1-(phenylmethyl)-1,4-diazepan-5-one IUPAC Name: 4-[(2S)-1-azido-4-methylpentan-2-yl]-1-benzyl-1,4-diazepan-5-one Traditional Name: 4-[(1S)-1-(azidomethyl)-3-methyl-butyl]-1-benzyl-1,4-diazepan-5-one Formula: C18H27N5O MolecularWeight: 329.43988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5O/c1-15(2)12-17(13-20-21-19)23-11-10-22(9-8-18(23)24)14-16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3/t17-/m0/s1