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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC2=C(C=C1)OCC(C(=O)N2CCC(C)C)(C)C

Isomeric SMILES

CCCCC(=O)NC1=CC2=C(C=C1)OCC(C(=O)N2CCC(C)C)(C)C

InChI

InChI=1S/C21H32N2O3/c1-6-7-8-19(24)22-16-9-10-18-17(13-16)23(12-11-15(2)3)20(25)21(4,5)14-26-18/h9-10,13,15H,6-8,11-12,14H2,1-5H3,(H,22,24)