4-cyano-N-[4-[(2,4-dimethoxyphenyl)methyl]-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]benzamide

Systemtic Name: 4-cyano-N-[4-[(2,4-dimethoxyphenyl)methyl]-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]benzamide Openeye Name: 4-cyano-N-[4-[(2,4-dimethoxyphenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]benzamide CAS Name: 4-cyano-N-[4-[(2,4-dimethoxyphenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]benzamide IUPAC Name: 4-cyano-N-[4-[(2,4-dimethoxyphenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]benzamide Traditional Name: 4-cyano-N-[4-(2,4-dimethoxybenzyl)-3-keto-5H-1,4-benzoxazepin-7-yl]benzamide Formula: C26H23N3O5 MolecularWeight: 457.47792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CC3=C(C=CC(=C3)NC(=O)C4=CC=C(C=C4)C#N)OCC2=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CC3=C(C=CC(=C3)NC(=O)C4=CC=C(C=C4)C#N)OCC2=O)OC

InChI

InChI=1S/C26H23N3O5/c1-32-22-9-7-19(24(12-22)33-2)14-29-15-20-11-21(8-10-23(20)34-16-25(29)30)28-26(31)18-5-3-17(13-27)4-6-18/h3-12H,14-16H2,1-2H3,(H,28,31)