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

Systemtic Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-2-fluoranyl-benzamide Openeye Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-fluoro-benzamide CAS Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-fluorobenzamide IUPAC Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-fluorobenzamide Traditional Name: N-(2-ethyl-4-homoveratryl-3-keto-5H-1,4-benzoxazepin-7-yl)-2-fluoro-benzamide Formula: C28H29FN2O5 MolecularWeight: 492.538663

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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)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3F)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H29FN2O5/c1-4-23-28(33)31(14-13-18-9-11-25(34-2)26(15-18)35-3)17-19-16-20(10-12-24(19)36-23)30-27(32)21-7-5-6-8-22(21)29/h5-12,15-16,23H,4,13-14,17H2,1-3H3,(H,30,32)