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

Systemtic Name: N-(4-butan-2-yl-2-methyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl)-3,4-bis(chloranyl)benzamide Openeye Name: 3,4-dichloro-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)-3,4-dichlorobenzamide IUPAC Name: N-(4-butan-2-yl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-3,4-dichlorobenzamide Traditional Name: 3,4-dichloro-N-(3-keto-2-methyl-4-sec-butyl-5H-1,4-benzoxazepin-7-yl)benzamide Formula: C21H22Cl2N2O3 MolecularWeight: 421.31698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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