N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-3,5-dimethyl-benzamide

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-3,5-dimethyl-benzamide Openeye Name: N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3,5-dimethyl-benzamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-3,5-dimethylbenzamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-3,5-dimethylbenzamide Traditional Name: N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-3,5-dimethyl-benzamide Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CCC(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CCC(C)C)C

InChI

InChI=1S/C25H32N2O3/c1-16(2)9-10-27-21-8-7-20(14-22(21)30-15-25(5,6)24(27)29)26-23(28)19-12-17(3)11-18(4)13-19/h7-8,11-14,16H,9-10,15H2,1-6H3,(H,26,28)