N-[2-methyl-4-(3-methylbutyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-2-phenyl-butanamide

Systemtic Name: N-[2-methyl-4-(3-methylbutyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-2-phenyl-butanamide Openeye Name: N-(4-isopentyl-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-2-phenyl-butanamide CAS Name: N-[2-methyl-4-(3-methylbutyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-phenylbutanamide IUPAC Name: N-[2-methyl-4-(3-methylbutyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-phenylbutanamide Traditional Name: N-(4-isoamyl-3-keto-2-methyl-5H-1,4-benzoxazepin-7-yl)-2-phenyl-butyramide Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)OC(C(=O)N(C3)CCC(C)C)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)OC(C(=O)N(C3)CCC(C)C)C

InChI

InChI=1S/C25H32N2O3/c1-5-22(19-9-7-6-8-10-19)24(28)26-21-11-12-23-20(15-21)16-27(14-13-17(2)3)25(29)18(4)30-23/h6-12,15,17-18,22H,5,13-14,16H2,1-4H3,(H,26,28)