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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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