(E)-3-[8-chloranyl-3-methoxy-2,5-bis(oxidanylidene)-1H-1-benzazepin-4-yl]-2-methyl-N-phenyl-prop-2-enamide

Systemtic Name: (E)-3-[8-chloranyl-3-methoxy-2,5-bis(oxidanylidene)-1H-1-benzazepin-4-yl]-2-methyl-N-phenyl-prop-2-enamide Openeye Name: (E)-3-(8-chloro-3-methoxy-2,5-dioxo-1H-1-benzazepin-4-yl)-2-methyl-N-phenyl-prop-2-enamide CAS Name: (E)-3-(8-chloro-3-methoxy-2,5-dioxo-1H-1-benzazepin-4-yl)-2-methyl-N-phenyl-2-propenamide IUPAC Name: (E)-3-(8-chloro-3-methoxy-2,5-dioxo-1H-1-benzazepin-4-yl)-2-methyl-N-phenylprop-2-enamide Traditional Name: (E)-3-(8-chloro-2,5-diketo-3-methoxy-1H-1-benzazepin-4-yl)-2-methyl-N-phenyl-acrylamide Formula: C21H17ClN2O4 MolecularWeight: 396.82368

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=C(C(=O)NC2=C(C1=O)C=CC(=C2)Cl)OC)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C/C(=C\C1=C(C(=O)NC2=C(C1=O)C=CC(=C2)Cl)OC)/C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H17ClN2O4/c1-12(20(26)23-14-6-4-3-5-7-14)10-16-18(25)15-9-8-13(22)11-17(15)24-21(27)19(16)28-2/h3-11H,1-2H3,(H,23,26)(H,24,27)/b12-10+