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

Systemtic Name: 2-chloranyl-N-(4-cyclohexyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl)pyridine-3-carboxamide Openeye Name: 2-chloro-N-(4-cyclohexyl-3-oxo-5H-1,4-benzoxazepin-7-yl)pyridine-3-carboxamide CAS Name: 2-chloro-N-(4-cyclohexyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-3-pyridinecarboxamide IUPAC Name: 2-chloro-N-(4-cyclohexyl-3-oxo-5H-1,4-benzoxazepin-7-yl)pyridine-3-carboxamide Traditional Name: 2-chloro-N-(4-cyclohexyl-3-keto-5H-1,4-benzoxazepin-7-yl)nicotinamide Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CC3=C(C=CC(=C3)NC(=O)C4=C(N=CC=C4)Cl)OCC2=O

Isomeric SMILES

C1CCC(CC1)N2CC3=C(C=CC(=C3)NC(=O)C4=C(N=CC=C4)Cl)OCC2=O

InChI

InChI=1S/C21H22ClN3O3/c22-20-17(7-4-10-23-20)21(27)24-15-8-9-18-14(11-15)12-25(19(26)13-28-18)16-5-2-1-3-6-16/h4,7-11,16H,1-3,5-6,12-13H2,(H,24,27)