N-(4-butan-2-yl-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl)-2-chloranyl-pyridine-3-carboxamide

Systemtic Name: N-(4-butan-2-yl-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl)-2-chloranyl-pyridine-3-carboxamide Openeye Name: 2-chloro-N-(2-ethyl-3-oxo-4-sec-butyl-5H-1,4-benzoxazepin-7-yl)pyridine-3-carboxamide CAS Name: N-(4-butan-2-yl-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-2-chloro-3-pyridinecarboxamide IUPAC Name: N-(4-butan-2-yl-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-2-chloropyridine-3-carboxamide Traditional Name: 2-chloro-N-(2-ethyl-3-keto-4-sec-butyl-5H-1,4-benzoxazepin-7-yl)nicotinamide Formula: C21H24ClN3O3 MolecularWeight: 401.88656

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=C(N=CC=C3)Cl)C(C)CC

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=C(N=CC=C3)Cl)C(C)CC

InChI

InChI=1S/C21H24ClN3O3/c1-4-13(3)25-12-14-11-15(8-9-18(14)28-17(5-2)21(25)27)24-20(26)16-7-6-10-23-19(16)22/h6-11,13,17H,4-5,12H2,1-3H3,(H,24,26)