N-(3-chloranyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-cyano-benzamide

Systemtic Name: N-(3-chloranyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-cyano-benzamide Openeye Name: N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-cyano-benzamide CAS Name: N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-cyanobenzamide IUPAC Name: N-(3-chloro-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-cyanobenzamide Traditional Name: N-(3-chloro-6-keto-5H-benzo[b][1,4]benzoxazepin-8-yl)-4-cyano-benzamide Formula: C21H12ClN3O3 MolecularWeight: 389.79128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C(=O)NC2=CC3=C(C=C2)OC4=C(C=C(C=C4)Cl)NC3=O

Isomeric SMILES

C1=CC(=CC=C1C#N)C(=O)NC2=CC3=C(C=C2)OC4=C(C=C(C=C4)Cl)NC3=O

InChI

InChI=1S/C21H12ClN3O3/c22-14-5-7-19-17(9-14)25-21(27)16-10-15(6-8-18(16)28-19)24-20(26)13-3-1-12(11-23)2-4-13/h1-10H,(H,24,26)(H,25,27)