3-chloranyl-N-[2-oxidanylidene-2-(2-pyridin-2-ylethylamino)ethyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide

Systemtic Name: 3-chloranyl-N-[2-oxidanylidene-2-(2-pyridin-2-ylethylamino)ethyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide Openeye Name: 3-chloro-N-[2-oxo-2-[2-(2-pyridyl)ethylamino]ethyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide CAS Name: 3-chloro-N-[2-oxo-2-[2-(2-pyridinyl)ethylamino]ethyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide IUPAC Name: 3-chloro-N-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide Traditional Name: 3-chloro-N-[2-keto-2-[2-(2-pyridyl)ethylamino]ethyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide Formula: C23H21ClN4O3 MolecularWeight: 436.89084

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2OC3=C(N1C(=O)NCC(=O)NCCC4=CC=CC=N4)C=C(C=C3)Cl

Isomeric SMILES

C1C2=CC=CC=C2OC3=C(N1C(=O)NCC(=O)NCCC4=CC=CC=N4)C=C(C=C3)Cl

InChI

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