4-chloranyl-N-[2-methyl-4-(3-methylbutyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]benzamide

Systemtic Name: 4-chloranyl-N-[2-methyl-4-(3-methylbutyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]benzamide Openeye Name: 4-chloro-N-(4-isopentyl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)benzamide CAS Name: 4-chloro-N-[2-methyl-4-(3-methylbutyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]benzamide IUPAC Name: 4-chloro-N-[2-methyl-4-(3-methylbutyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]benzamide Traditional Name: 4-chloro-N-(4-isoamyl-3-keto-2-methyl-5H-1,4-benzoxazepin-7-yl)benzamide Formula: C22H25ClN2O3 MolecularWeight: 400.8985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O3/c1-14(2)10-11-25-13-17-12-19(8-9-20(17)28-15(3)22(25)27)24-21(26)16-4-6-18(23)7-5-16/h4-9,12,14-15H,10-11,13H2,1-3H3,(H,24,26)