(E)-3-(3,4-dimethoxyphenyl)-N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)prop-2-enamide

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)prop-2-enamide Openeye Name: (E)-3-(3,4-dimethoxyphenyl)-N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)prop-2-enamide Traditional Name: (E)-3-(3,4-dimethoxyphenyl)-N-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-8-yl)acrylamide Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)NC(=O)C=CC3=CC(=C(C=C3)OC)OC)OCC(C1=O)(C)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)NC(=O)/C=C/C3=CC(=C(C=C3)OC)OC)OCC(C1=O)(C)C

InChI

InChI=1S/C25H30N2O5/c1-6-13-27-19-10-9-18(15-21(19)32-16-25(2,3)24(27)29)26-23(28)12-8-17-7-11-20(30-4)22(14-17)31-5/h7-12,14-15H,6,13,16H2,1-5H3,(H,26,28)/b12-8+