N-(4-butan-2-yl-2-methyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl)-4-fluoranyl-benzamide

Systemtic Name: N-(4-butan-2-yl-2-methyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl)-4-fluoranyl-benzamide Openeye Name: 4-fluoro-N-(2-methyl-3-oxo-4-sec-butyl-5H-1,4-benzoxazepin-7-yl)benzamide CAS Name: N-(4-butan-2-yl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-4-fluorobenzamide IUPAC Name: N-(4-butan-2-yl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-4-fluorobenzamide Traditional Name: 4-fluoro-N-(3-keto-2-methyl-4-sec-butyl-5H-1,4-benzoxazepin-7-yl)benzamide Formula: C21H23FN2O3 MolecularWeight: 370.417323

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)F)OC(C1=O)C

Isomeric SMILES

CCC(C)N1CC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)F)OC(C1=O)C

InChI

InChI=1S/C21H23FN2O3/c1-4-13(2)24-12-16-11-18(9-10-19(16)27-14(3)21(24)26)23-20(25)15-5-7-17(22)8-6-15/h5-11,13-14H,4,12H2,1-3H3,(H,23,25)