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

Systemtic Name: N-(4-butan-2-yl-2-methyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl)-2-chloranyl-pyridine-3-carboxamide Openeye Name: 2-chloro-N-(2-methyl-3-oxo-4-sec-butyl-5H-1,4-benzoxazepin-7-yl)pyridine-3-carboxamide CAS Name: N-(4-butan-2-yl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-2-chloro-3-pyridinecarboxamide IUPAC Name: N-(4-butan-2-yl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-2-chloropyridine-3-carboxamide Traditional Name: 2-chloro-N-(3-keto-2-methyl-4-sec-butyl-5H-1,4-benzoxazepin-7-yl)nicotinamide Formula: C20H22ClN3O3 MolecularWeight: 387.85998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CC2=C(C=CC(=C2)NC(=O)C3=C(N=CC=C3)Cl)OC(C1=O)C

Isomeric SMILES

CCC(C)N1CC2=C(C=CC(=C2)NC(=O)C3=C(N=CC=C3)Cl)OC(C1=O)C

InChI

InChI=1S/C20H22ClN3O3/c1-4-12(2)24-11-14-10-15(7-8-17(14)27-13(3)20(24)26)23-19(25)16-6-5-9-22-18(16)21/h5-10,12-13H,4,11H2,1-3H3,(H,23,25)