(5S)-1-[(2S)-1-azido-3-phenyl-propan-2-yl]-5-methyl-azepan-2-one

Systemtic Name: (5S)-1-[(2S)-1-azido-3-phenyl-propan-2-yl]-5-methyl-azepan-2-one Openeye Name: (5S)-1-[(1S)-1-(azidomethyl)-2-phenyl-ethyl]-5-methyl-azepan-2-one CAS Name: (5S)-1-[(2S)-1-azido-3-phenylpropan-2-yl]-5-methyl-2-azepanone IUPAC Name: (5S)-1-[(2S)-1-azido-3-phenylpropan-2-yl]-5-methylazepan-2-one Traditional Name: (5S)-1-[(1S)-1-(azidomethyl)-2-phenyl-ethyl]-5-methyl-azepan-2-one Formula: C16H22N4O MolecularWeight: 286.37208

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(=O)N(CC1)C(CC2=CC=CC=C2)CN=[N+]=[N-]

Isomeric SMILES

C[C@H]1CCC(=O)N(CC1)[C@@H](CC2=CC=CC=C2)CN=[N+]=[N-]

InChI

InChI=1S/C16H22N4O/c1-13-7-8-16(21)20(10-9-13)15(12-18-19-17)11-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3/t13-,15-/m0/s1