3-[(2-iodanyl-4,5-dimethoxy-phenyl)methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one

Systemtic Name: 3-[(2-iodanyl-4,5-dimethoxy-phenyl)methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one Openeye Name: 3-[(2-iodo-4,5-dimethoxy-phenyl)methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one CAS Name: 3-[(2-iodo-4,5-dimethoxyphenyl)methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one IUPAC Name: 3-[(2-iodo-4,5-dimethoxyphenyl)methyl]-7,8-dimethoxy-1H-3-benzazepin-2-one Traditional Name: 3-(2-iodo-4,5-dimethoxy-benzyl)-7,8-dimethoxy-1H-3-benzazepin-2-one Formula: C21H22INO5 MolecularWeight: 495.30755

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=CN(C(=O)CC2=C1)CC3=CC(=C(C=C3I)OC)OC)OC

Isomeric SMILES

COC1=C(C=C2C=CN(C(=O)CC2=C1)CC3=CC(=C(C=C3I)OC)OC)OC

InChI

InChI=1S/C21H22INO5/c1-25-17-7-13-5-6-23(21(24)10-14(13)8-18(17)26-2)12-15-9-19(27-3)20(28-4)11-16(15)22/h5-9,11H,10,12H2,1-4H3