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

Systemtic Name: 2-bromanyl-N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)-5-methoxy-benzamide Openeye Name: 2-bromo-N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-5-methoxy-benzamide CAS Name: 2-bromo-N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-5-methoxybenzamide IUPAC Name: 2-bromo-N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-5-methoxybenzamide Traditional Name: 2-bromo-N-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-8-yl)-5-methoxy-benzamide Formula: C22H25BrN2O4 MolecularWeight: 461.3489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN2O4/c1-5-10-25-18-9-6-14(11-19(18)29-13-22(2,3)21(25)27)24-20(26)16-12-15(28-4)7-8-17(16)23/h6-9,11-12H,5,10,13H2,1-4H3,(H,24,26)