(3Z)-3-[(2,4-dimethoxypyrimidin-5-yl)methylidene]-1-(phenylmethyl)-2H-4,1-benzoxazepin-5-one

Systemtic Name: (3Z)-3-[(2,4-dimethoxypyrimidin-5-yl)methylidene]-1-(phenylmethyl)-2H-4,1-benzoxazepin-5-one Openeye Name: (3Z)-1-benzyl-3-[(2,4-dimethoxypyrimidin-5-yl)methylene]-2H-4,1-benzoxazepin-5-one CAS Name: (3Z)-3-[(2,4-dimethoxy-5-pyrimidinyl)methylidene]-1-(phenylmethyl)-2H-4,1-benzoxazepin-5-one IUPAC Name: (3Z)-1-benzyl-3-[(2,4-dimethoxypyrimidin-5-yl)methylidene]-2H-4,1-benzoxazepin-5-one Traditional Name: (3Z)-1-benzyl-3-[(2,4-dimethoxypyrimidin-5-yl)methylene]-2H-4,1-benzoxazepin-5-one Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1C=C2CN(C3=CC=CC=C3C(=O)O2)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=NC(=NC=C1/C=C\2/CN(C3=CC=CC=C3C(=O)O2)CC4=CC=CC=C4)OC

InChI

InChI=1S/C23H21N3O4/c1-28-21-17(13-24-23(25-21)29-2)12-18-15-26(14-16-8-4-3-5-9-16)20-11-7-6-10-19(20)22(27)30-18/h3-13H,14-15H2,1-2H3/b18-12-