N-[2-ethyl-4-[(4-methoxyphenyl)methyl]-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-2-fluoranyl-benzamide

Systemtic Name: N-[2-ethyl-4-[(4-methoxyphenyl)methyl]-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-2-fluoranyl-benzamide Openeye Name: N-[2-ethyl-4-[(4-methoxyphenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-fluoro-benzamide CAS Name: N-[2-ethyl-4-[(4-methoxyphenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-fluorobenzamide IUPAC Name: N-[2-ethyl-4-[(4-methoxyphenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-fluorobenzamide Traditional Name: N-(2-ethyl-3-keto-4-p-anisyl-5H-1,4-benzoxazepin-7-yl)-2-fluoro-benzamide Formula: C26H25FN2O4 MolecularWeight: 448.486103

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3F)CC4=CC=C(C=C4)OC

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3F)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H25FN2O4/c1-3-23-26(31)29(15-17-8-11-20(32-2)12-9-17)16-18-14-19(10-13-24(18)33-23)28-25(30)21-6-4-5-7-22(21)27/h4-14,23H,3,15-16H2,1-2H3,(H,28,30)