(2S)-2-azanyl-N-[6-(bromomethyl)-6-phenyl-2,1,3-benzoxadiazol-1-yl]propanamide

Systemtic Name: (2S)-2-azanyl-N-[6-(bromomethyl)-6-phenyl-2,1,3-benzoxadiazol-1-yl]propanamide Openeye Name: (2S)-2-amino-N-[6-(bromomethyl)-6-phenyl-2,1,3-benzoxadiazol-1-yl]propanamide CAS Name: (2S)-2-amino-N-[6-(bromomethyl)-6-phenyl-2,1,3-benzoxadiazol-1-yl]propanamide IUPAC Name: (2S)-2-amino-N-[6-(bromomethyl)-6-phenyl-2,1,3-benzoxadiazol-1-yl]propanamide Traditional Name: (2S)-2-amino-N-[6-(bromomethyl)-6-phenyl-benzofurazan-1-yl]propionamide Formula: C16H17BrN4O2 MolecularWeight: 377.23578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NN1C2=CC(C=CC2=NO1)(CBr)C3=CC=CC=C3)N

Isomeric SMILES

C[C@@H](C(=O)NN1C2=CC(C=CC2=NO1)(CBr)C3=CC=CC=C3)N

InChI

InChI=1S/C16H17BrN4O2/c1-11(18)15(22)19-21-14-9-16(10-17,8-7-13(14)20-23-21)12-5-3-2-4-6-12/h2-9,11H,10,18H2,1H3,(H,19,22)/t11-,16?/m0/s1