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

Systemtic Name: 3,4-bis(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)-3,4-dichloro-benzamide CAS Name: 3,4-dichloro-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)benzamide IUPAC Name: 3,4-dichloro-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)-3,4-dichloro-benzamide Formula: C21H20Cl2N2O3 MolecularWeight: 419.3011

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20Cl2N2O3/c1-4-9-25-17-8-6-14(11-18(17)28-12-21(2,3)20(25)27)24-19(26)13-5-7-15(22)16(23)10-13/h4-8,10-11H,1,9,12H2,2-3H3,(H,24,26)