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

Systemtic Name: N-[2-[2-(2-fluorophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-1-oxidanidyl-pyridin-1-ium-3-carboxamide Openeye Name: N-[2-[2-(2-fluorophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-1-oxido-pyridin-1-ium-3-carboxamide CAS Name: N-[2-[2-(2-fluorophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-1-oxido-3-pyridin-1-iumcarboxamide IUPAC Name: N-[2-[2-(2-fluorophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-1-oxidopyridin-1-ium-3-carboxamide Traditional Name: N-[2-[2-(2-fluorophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C23H22FN3O3 MolecularWeight: 407.437483

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2CN1CCNC(=O)C3=C[N+](=CC=C3)[O-])C4=CC=CC=C4F

Isomeric SMILES

C1C(OC2=CC=CC=C2CN1CCNC(=O)C3=C[N+](=CC=C3)[O-])C4=CC=CC=C4F

InChI

InChI=1S/C23H22FN3O3/c24-20-9-3-2-8-19(20)22-16-26(14-17-6-1-4-10-21(17)30-22)13-11-25-23(28)18-7-5-12-27(29)15-18/h1-10,12,15,22H,11,13-14,16H2,(H,25,28)