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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)C2=C(C=C(C=C2)Cl)NC1=O)C=CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=O)C2=C(C=C(C=C2)Cl)NC1=O)/C=C/C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H17ClN2O4/c1-28-20-16(9-10-18(25)23-12-13-5-3-2-4-6-13)19(26)15-8-7-14(22)11-17(15)24-21(20)27/h2-11H,12H2,1H3,(H,23,25)(H,24,27)/b10-9+