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

Systemtic Name: 2,5-bis(chloranyl)-N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)benzamide Openeye Name: 2,5-dichloro-N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)benzamide CAS Name: 2,5-dichloro-N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)benzamide IUPAC Name: 2,5-dichloro-N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)benzamide Traditional Name: 2,5-dichloro-N-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-8-yl)benzamide Formula: C21H22Cl2N2O3 MolecularWeight: 421.31698

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)NC(=O)C3=C(C=CC(=C3)Cl)Cl)OCC(C1=O)(C)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)NC(=O)C3=C(C=CC(=C3)Cl)Cl)OCC(C1=O)(C)C

InChI

InChI=1S/C21H22Cl2N2O3/c1-4-9-25-17-8-6-14(11-18(17)28-12-21(2,3)20(25)27)24-19(26)15-10-13(22)5-7-16(15)23/h5-8,10-11H,4,9,12H2,1-3H3,(H,24,26)