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

Systemtic Name: 2-chloranyl-N-[4-(2-methylpropyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]pyridine-3-carboxamide Openeye Name: 2-chloro-N-(4-isobutyl-3-oxo-5H-1,4-benzoxazepin-7-yl)pyridine-3-carboxamide CAS Name: 2-chloro-N-[4-(2-methylpropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-pyridinecarboxamide IUPAC Name: 2-chloro-N-[4-(2-methylpropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]pyridine-3-carboxamide Traditional Name: 2-chloro-N-(4-isobutyl-3-keto-5H-1,4-benzoxazepin-7-yl)nicotinamide Formula: C19H20ClN3O3 MolecularWeight: 373.8334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC2=C(C=CC(=C2)NC(=O)C3=C(N=CC=C3)Cl)OCC1=O

Isomeric SMILES

CC(C)CN1CC2=C(C=CC(=C2)NC(=O)C3=C(N=CC=C3)Cl)OCC1=O

InChI

InChI=1S/C19H20ClN3O3/c1-12(2)9-23-10-13-8-14(5-6-16(13)26-11-17(23)24)22-19(25)15-4-3-7-21-18(15)20/h3-8,12H,9-11H2,1-2H3,(H,22,25)