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

Systemtic Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]pentanamide Openeye Name: N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)pentanamide CAS Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]pentanamide IUPAC Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]pentanamide Traditional Name: N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)valeramide Formula: C20H30N2O3 MolecularWeight: 346.4638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O3/c1-6-7-8-18(23)21-15-9-10-16-17(11-15)25-13-20(4,5)19(24)22(16)12-14(2)3/h9-11,14H,6-8,12-13H2,1-5H3,(H,21,23)