3-chloranyl-N'-(2-cyanoethanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide

Systemtic Name: 3-chloranyl-N'-(2-cyanoethanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide Openeye Name: 3-chloro-N'-(2-cyanoacetyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide CAS Name: 3-chloro-N'-(2-cyano-1-oxoethyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide IUPAC Name: 3-chloro-N'-(2-cyanoacetyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide Traditional Name: 3-chloro-N'-(2-cyanoacetyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide Formula: C17H13ClN4O3 MolecularWeight: 356.76312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN4O3/c18-12-5-6-15-13(9-12)22(17(24)21-20-16(23)7-8-19)10-11-3-1-2-4-14(11)25-15/h1-6,9H,7,10H2,(H,20,23)(H,21,24)