1-oxidanidyl-N-[2-[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-2,1,3-benzoxadiazol-1-ium-5-carboxamide

Systemtic Name: 1-oxidanidyl-N-[2-[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-2,1,3-benzoxadiazol-1-ium-5-carboxamide Openeye Name: 1-oxido-N-[2-[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-2,1,3-benzoxadiazol-1-ium-5-carboxamide CAS Name: 1-oxido-N-[2-[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-2,1,3-benzoxadiazol-1-ium-5-carboxamide IUPAC Name: 1-oxido-N-[2-[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-2,1,3-benzoxadiazol-1-ium-5-carboxamide Traditional Name: 1-oxido-N-[2-[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]benzofurazan-1-ium-5-carboxamide Formula: C24H22N4O4 MolecularWeight: 430.45588

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2CN1CCNC(=O)C3=CC4=NO[N+](=C4C=C3)[O-])C5=CC=CC=C5

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2CN1CCNC(=O)C3=CC4=NO[N+](=C4C=C3)[O-])C5=CC=CC=C5

InChI

InChI=1S/C24H22N4O4/c29-24(18-10-11-21-20(14-18)26-32-28(21)30)25-12-13-27-15-19-8-4-5-9-22(19)31-23(16-27)17-6-2-1-3-7-17/h1-11,14,23H,12-13,15-16H2,(H,25,29)/t23-/m1/s1