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

Systemtic Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-2-fluoranyl-benzamide Openeye Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-fluoro-benzamide CAS Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-fluorobenzamide IUPAC Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-fluorobenzamide Traditional Name: 2-fluoro-N-(4-homoveratryl-3-keto-2-methyl-5H-1,4-benzoxazepin-7-yl)benzamide Formula: C27H27FN2O5 MolecularWeight: 478.512083

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3F)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3F)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C27H27FN2O5/c1-17-27(32)30(13-12-18-8-10-24(33-2)25(14-18)34-3)16-19-15-20(9-11-23(19)35-17)29-26(31)21-6-4-5-7-22(21)28/h4-11,14-15,17H,12-13,16H2,1-3H3,(H,29,31)