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

Systemtic Name: (E)-3-(3,4-dimethoxyphenyl)-N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)prop-2-enamide Openeye Name: (E)-N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3-(3,4-dimethoxyphenyl)prop-2-enamide CAS Name: (E)-3-(3,4-dimethoxyphenyl)-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-2-propenamide IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)prop-2-enamide Traditional Name: (E)-N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-3-(3,4-dimethoxyphenyl)acrylamide Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=CC(=C2)NC(=O)C=CC3=CC(=C(C=C3)OC)OC)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=CC(=C2)NC(=O)/C=C/C3=CC(=C(C=C3)OC)OC)N(C1=O)CC=C)C

InChI

InChI=1S/C25H28N2O5/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/h6-12,14-15H,1,13,16H2,2-5H3,(H,26,28)/b12-8+