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

Systemtic Name: 3-chloranyl-N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)benzamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3-chloro-benzamide CAS Name: 3-chloro-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)benzamide IUPAC Name: 3-chloro-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)benzamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-3-chloro-benzamide Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O3/c1-4-10-24-17-9-8-16(12-18(17)27-13-21(2,3)20(24)26)23-19(25)14-6-5-7-15(22)11-14/h4-9,11-12H,1,10,13H2,2-3H3,(H,23,25)