3-chloranyl-N'-(5-iodanylpentanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide

Systemtic Name: 3-chloranyl-N'-(5-iodanylpentanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide Openeye Name: 3-chloro-N'-(5-iodopentanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide CAS Name: 3-chloro-N'-(5-iodo-1-oxopentyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide IUPAC Name: 3-chloro-N'-(5-iodopentanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide Traditional Name: 3-chloro-N'-(5-iodopentanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide Formula: C19H19ClIN3O3 MolecularWeight: 499.72993

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2OC3=C(N1C(=O)NNC(=O)CCCCI)C=C(C=C3)Cl

Isomeric SMILES

C1C2=CC=CC=C2OC3=C(N1C(=O)NNC(=O)CCCCI)C=C(C=C3)Cl

InChI

InChI=1S/C19H19ClIN3O3/c20-14-8-9-17-15(11-14)24(12-13-5-1-2-6-16(13)27-17)19(26)23-22-18(25)7-3-4-10-21/h1-2,5-6,8-9,11H,3-4,7,10,12H2,(H,22,25)(H,23,26)