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

Systemtic Name: 4-cyano-N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]benzamide Openeye Name: 4-cyano-N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]benzamide CAS Name: 4-cyano-N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]benzamide IUPAC Name: 4-cyano-N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]benzamide Traditional Name: 4-cyano-N-(4-homoveratryl-3-keto-2-methyl-5H-1,4-benzoxazepin-7-yl)benzamide Formula: C28H27N3O5 MolecularWeight: 485.53108

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C#N)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=C(C=C3)C#N)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H27N3O5/c1-18-28(33)31(13-12-19-6-10-25(34-2)26(14-19)35-3)17-22-15-23(9-11-24(22)36-18)30-27(32)21-7-4-20(16-29)5-8-21/h4-11,14-15,18H,12-13,17H2,1-3H3,(H,30,32)