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

Systemtic Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-2-propyl-pentanamide Openeye Name: N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-propyl-pentanamide CAS Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2-propylpentanamide IUPAC Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2-propylpentanamide Traditional Name: N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-2-propyl-valeramide Formula: C23H36N2O3 MolecularWeight: 388.54354

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)NC1=CC2=C(C=C1)N(C(=O)C(CO2)(C)C)CC(C)C

Isomeric SMILES

CCCC(CCC)C(=O)NC1=CC2=C(C=C1)N(C(=O)C(CO2)(C)C)CC(C)C

InChI

InChI=1S/C23H36N2O3/c1-7-9-17(10-8-2)21(26)24-18-11-12-19-20(13-18)28-15-23(5,6)22(27)25(19)14-16(3)4/h11-13,16-17H,7-10,14-15H2,1-6H3,(H,24,26)