2-chloranyl-N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-4-fluoranyl-benzamide

Systemtic Name: 2-chloranyl-N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-4-fluoranyl-benzamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-chloro-4-fluoro-benzamide CAS Name: 2-chloro-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-4-fluorobenzamide IUPAC Name: 2-chloro-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-4-fluorobenzamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-2-chloro-4-fluoro-benzamide Formula: C21H20ClFN2O3 MolecularWeight: 402.846503

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=CC(=C2)NC(=O)C3=C(C=C(C=C3)F)Cl)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=CC(=C2)NC(=O)C3=C(C=C(C=C3)F)Cl)N(C1=O)CC=C)C

InChI

InChI=1S/C21H20ClFN2O3/c1-4-9-25-17-8-6-14(11-18(17)28-12-21(2,3)20(25)27)24-19(26)15-7-5-13(23)10-16(15)22/h4-8,10-11H,1,9,12H2,2-3H3,(H,24,26)