N-(4-butan-2-yl-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl)-2-chloranyl-benzamide

Systemtic Name: N-(4-butan-2-yl-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl)-2-chloranyl-benzamide Openeye Name: 2-chloro-N-(2-ethyl-3-oxo-4-sec-butyl-5H-1,4-benzoxazepin-7-yl)benzamide CAS Name: N-(4-butan-2-yl-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-2-chlorobenzamide IUPAC Name: N-(4-butan-2-yl-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-2-chlorobenzamide Traditional Name: 2-chloro-N-(2-ethyl-3-keto-4-sec-butyl-5H-1,4-benzoxazepin-7-yl)benzamide Formula: C22H25ClN2O3 MolecularWeight: 400.8985

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3Cl)C(C)CC

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3Cl)C(C)CC

InChI

InChI=1S/C22H25ClN2O3/c1-4-14(3)25-13-15-12-16(10-11-20(15)28-19(5-2)22(25)27)24-21(26)17-8-6-7-9-18(17)23/h6-12,14,19H,4-5,13H2,1-3H3,(H,24,26)