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

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-2-phenyl-butanamide Openeye Name: N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-phenyl-butanamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2-phenylbutanamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2-phenylbutanamide Traditional Name: N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-2-phenyl-butyramide Formula: C26H34N2O3 MolecularWeight: 422.55976

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CCC(C)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CCC(C)C

InChI

InChI=1S/C26H34N2O3/c1-6-21(19-10-8-7-9-11-19)24(29)27-20-12-13-22-23(16-20)31-17-26(4,5)25(30)28(22)15-14-18(2)3/h7-13,16,18,21H,6,14-15,17H2,1-5H3,(H,27,29)