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

Systemtic Name: 3,3-dimethyl-N-[2-methyl-4-(3-methylbutyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]butanamide Openeye Name: N-(4-isopentyl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-3,3-dimethyl-butanamide CAS Name: 3,3-dimethyl-N-[2-methyl-4-(3-methylbutyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]butanamide IUPAC Name: 3,3-dimethyl-N-[2-methyl-4-(3-methylbutyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]butanamide Traditional Name: N-(4-isoamyl-3-keto-2-methyl-5H-1,4-benzoxazepin-7-yl)-3,3-dimethyl-butyramide Formula: C21H32N2O3 MolecularWeight: 360.49038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O3/c1-14(2)9-10-23-13-16-11-17(22-19(24)12-21(4,5)6)7-8-18(16)26-15(3)20(23)25/h7-8,11,14-15H,9-10,12-13H2,1-6H3,(H,22,24)