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

Systemtic Name: 2-chloranyl-N-(2-methyl-3-oxidanylidene-4-phenethyl-5H-1,4-benzoxazepin-7-yl)pyridine-3-carboxamide Openeye Name: 2-chloro-N-(2-methyl-3-oxo-4-phenethyl-5H-1,4-benzoxazepin-7-yl)pyridine-3-carboxamide CAS Name: 2-chloro-N-(2-methyl-3-oxo-4-phenethyl-5H-1,4-benzoxazepin-7-yl)-3-pyridinecarboxamide IUPAC Name: 2-chloro-N-(2-methyl-3-oxo-4-phenethyl-5H-1,4-benzoxazepin-7-yl)pyridine-3-carboxamide Traditional Name: 2-chloro-N-(3-keto-2-methyl-4-phenethyl-5H-1,4-benzoxazepin-7-yl)nicotinamide Formula: C24H22ClN3O3 MolecularWeight: 435.90278

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=C(N=CC=C3)Cl)CCC4=CC=CC=C4

Isomeric SMILES

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=C(N=CC=C3)Cl)CCC4=CC=CC=C4

InChI

InChI=1S/C24H22ClN3O3/c1-16-24(30)28(13-11-17-6-3-2-4-7-17)15-18-14-19(9-10-21(18)31-16)27-23(29)20-8-5-12-26-22(20)25/h2-10,12,14,16H,11,13,15H2,1H3,(H,27,29)