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

Systemtic Name: 2-chloranyl-N-[2-ethyl-4-(2-methylpropyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]pyridine-3-carboxamide Openeye Name: 2-chloro-N-(2-ethyl-4-isobutyl-3-oxo-5H-1,4-benzoxazepin-7-yl)pyridine-3-carboxamide CAS Name: 2-chloro-N-[2-ethyl-4-(2-methylpropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-pyridinecarboxamide IUPAC Name: 2-chloro-N-[2-ethyl-4-(2-methylpropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]pyridine-3-carboxamide Traditional Name: 2-chloro-N-(2-ethyl-4-isobutyl-3-keto-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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O3/c1-4-17-21(27)25(11-13(2)3)12-14-10-15(7-8-18(14)28-17)24-20(26)16-6-5-9-23-19(16)22/h5-10,13,17H,4,11-12H2,1-3H3,(H,24,26)