N-[2-[(2S)-2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carboxamide

Systemtic Name: N-[2-[(2S)-2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-1-oxidanidyl-2,1,3-benzoxadiazol-1-ium-5-carboxamide Openeye Name: N-[2-[(2S)-2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxamide CAS Name: N-[2-[(2S)-2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxamide IUPAC Name: N-[2-[(2S)-2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-1-oxido-2,1,3-benzoxadiazol-1-ium-5-carboxamide Traditional Name: N-[2-[(2S)-2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-1-oxido-benzofurazan-1-ium-5-carboxamide Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC2=C(O1)C=CC(=C2)OC)CCNC(=O)C3=CC4=NO[N+](=C4C=C3)[O-]

Isomeric SMILES

CC[C@H]1CN(CC2=C(O1)C=CC(=C2)OC)CCNC(=O)C3=CC4=NO[N+](=C4C=C3)[O-]

InChI

InChI=1S/C21H24N4O5/c1-3-16-13-24(12-15-10-17(28-2)5-7-20(15)29-16)9-8-22-21(26)14-4-6-19-18(11-14)23-30-25(19)27/h4-7,10-11,16H,3,8-9,12-13H2,1-2H3,(H,22,26)/t16-/m0/s1