N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-6-oxidanylidene-pyran-3-carboxamide

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-6-oxidanylidene-pyran-3-carboxamide Openeye Name: N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-6-oxo-pyran-3-carboxamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-6-oxo-3-pyrancarboxamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-6-oxopyran-3-carboxamide Traditional Name: N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-6-keto-pyran-3-carboxamide Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5/c1-14(2)9-10-24-17-11-16(23-20(26)15-5-8-19(25)28-12-15)6-7-18(17)29-13-22(3,4)21(24)27/h5-8,11-12,14H,9-10,13H2,1-4H3,(H,23,26)