N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(2-oxidanylidenepyrimidin-1-yl)ethanamide

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(2-oxidanylidenepyrimidin-1-yl)ethanamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(2-oxo-1-pyrimidinyl)acetamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(2-oxopyrimidin-1-yl)acetamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(2-ketopyrimidin-1-yl)acetamide Formula: C16H16ClN3O4 MolecularWeight: 349.76894

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=O)CN3C=CC=NC3=O)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=O)CN3C=CC=NC3=O)Cl)OC1

InChI

InChI=1S/C16H16ClN3O4/c17-12-7-11(8-13-15(12)24-6-2-5-23-13)9-19-14(21)10-20-4-1-3-18-16(20)22/h1,3-4,7-8H,2,5-6,9-10H2,(H,19,21)