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

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]pentanamide Openeye Name: N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)pentanamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]pentanamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]pentanamide Traditional Name: N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)valeramide Formula: C21H32N2O3 MolecularWeight: 360.49038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC2=C(C=C1)N(C(=O)C(CO2)(C)C)CCC(C)C

Isomeric SMILES

CCCCC(=O)NC1=CC2=C(C=C1)N(C(=O)C(CO2)(C)C)CCC(C)C

InChI

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