3-chloranyl-N'-pyridin-4-ylcarbonyl-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide chloride

Systemtic Name: 3-chloranyl-N'-pyridin-4-ylcarbonyl-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide chloride Openeye Name: 3-chloro-N'-(pyridine-4-carbonyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide chloride CAS Name: 3-chloro-N'-[oxo(pyridin-4-yl)methyl]-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide chloride IUPAC Name: 3-chloro-N'-(pyridine-4-carbonyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide chloride Traditional Name: 3-chloro-N'-isonicotinoyl-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide chloride Formula: C20H15Cl2N4O3- MolecularWeight: 430.2641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2OC3=C(N1C(=O)NNC(=O)C4=CC=NC=C4)C=C(C=C3)Cl.[Cl-]

Isomeric SMILES

C1C2=CC=CC=C2OC3=C(N1C(=O)NNC(=O)C4=CC=NC=C4)C=C(C=C3)Cl.[Cl-]

InChI

InChI=1S/C20H15ClN4O3.ClH/c21-15-5-6-18-16(11-15)25(12-14-3-1-2-4-17(14)28-18)20(27)24-23-19(26)13-7-9-22-10-8-13;/h1-11H,12H2,(H,23,26)(H,24,27);1H/p-1