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

Systemtic Name: (E)-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3-phenyl-prop-2-enamide CAS Name: (E)-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-3-phenylprop-2-enamide Traditional Name: (E)-N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-3-phenyl-acrylamide Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)NC(=O)C=CC3=CC=CC=C3)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3)OCC(C1=O)(C)C

InChI

InChI=1S/C25H30N2O3/c1-18(2)14-15-27-21-12-11-20(16-22(21)30-17-25(3,4)24(27)29)26-23(28)13-10-19-8-6-5-7-9-19/h5-13,16,18H,14-15,17H2,1-4H3,(H,26,28)/b13-10+