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

Systemtic Name: 3-chloranyl-N'-(4-pyridin-4-ylbutanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide Openeye Name: 3-chloro-N'-[4-(4-pyridyl)butanoyl]-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide CAS Name: 3-chloro-N'-(1-oxo-4-pyridin-4-ylbutyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide IUPAC Name: 3-chloro-N'-(4-pyridin-4-ylbutanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide Traditional Name: 3-chloro-N'-[4-(4-pyridyl)butanoyl]-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide Formula: C23H21ClN4O3 MolecularWeight: 436.89084

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2OC3=C(N1C(=O)NNC(=O)CCCC4=CC=NC=C4)C=C(C=C3)Cl

Isomeric SMILES

C1C2=CC=CC=C2OC3=C(N1C(=O)NNC(=O)CCCC4=CC=NC=C4)C=C(C=C3)Cl

InChI

InChI=1S/C23H21ClN4O3/c24-18-8-9-21-19(14-18)28(15-17-5-1-2-6-20(17)31-21)23(30)27-26-22(29)7-3-4-16-10-12-25-13-11-16/h1-2,5-6,8-14H,3-4,7,15H2,(H,26,29)(H,27,30)