N-[2-[2-(2-fluorophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-[2-(2-fluorophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-[2-(2-fluorophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-[2-(2-fluorophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-[2-(2-fluorophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[2-[2-(2-fluorophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-2-(methylthio)nicotinamide Formula: C24H24FN3O2S MolecularWeight: 437.529663

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NCCN2CC(OC3=CC=CC=C3C2)C4=CC=CC=C4F

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NCCN2CC(OC3=CC=CC=C3C2)C4=CC=CC=C4F

InChI

InChI=1S/C24H24FN3O2S/c1-31-24-19(9-6-12-27-24)23(29)26-13-14-28-15-17-7-2-5-11-21(17)30-22(16-28)18-8-3-4-10-20(18)25/h2-12,22H,13-16H2,1H3,(H,26,29)