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

Systemtic Name: 3-chloranyl-N'-(2-pyridin-3-ylethanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide Openeye Name: 3-chloro-N'-[2-(3-pyridyl)acetyl]-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide CAS Name: 3-chloro-N'-[1-oxo-2-(3-pyridinyl)ethyl]-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide IUPAC Name: 3-chloro-N'-(2-pyridin-3-ylacetyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide Traditional Name: 3-chloro-N'-[2-(3-pyridyl)acetyl]-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide Formula: C21H17ClN4O3 MolecularWeight: 408.83768

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2OC3=C(N1C(=O)NNC(=O)CC4=CN=CC=C4)C=C(C=C3)Cl

Isomeric SMILES

C1C2=CC=CC=C2OC3=C(N1C(=O)NNC(=O)CC4=CN=CC=C4)C=C(C=C3)Cl

InChI

InChI=1S/C21H17ClN4O3/c22-16-7-8-19-17(11-16)26(13-15-5-1-2-6-18(15)29-19)21(28)25-24-20(27)10-14-4-3-9-23-12-14/h1-9,11-12H,10,13H2,(H,24,27)(H,25,28)