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

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(4-oxidanylidenecinnolin-1-yl)ethanamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(4-oxocinnolin-1-yl)acetamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(4-oxo-1-cinnolinyl)acetamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(4-oxocinnolin-1-yl)acetamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(4-ketocinnolin-1-yl)acetamide Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=O)CN3C4=CC=CC=C4C(=O)C=N3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=O)CN3C4=CC=CC=C4C(=O)C=N3)Cl)OC1

InChI

InChI=1S/C20H18ClN3O4/c21-15-8-13(9-18-20(15)28-7-3-6-27-18)10-22-19(26)12-24-16-5-2-1-4-14(16)17(25)11-23-24/h1-2,4-5,8-9,11H,3,6-7,10,12H2,(H,22,26)