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

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-1-benzofuran-2-carboxamide Openeye Name: N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)benzofuran-2-carboxamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2-benzofurancarboxamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-1-benzofuran-2-carboxamide Traditional Name: N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)coumarilamide Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3)OCC(C1=O)(C)C

InChI

InChI=1S/C25H28N2O4/c1-16(2)11-12-27-19-10-9-18(14-21(19)30-15-25(3,4)24(27)29)26-23(28)22-13-17-7-5-6-8-20(17)31-22/h5-10,13-14,16H,11-12,15H2,1-4H3,(H,26,28)