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

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(4-oxidanylidenecinnolin-1-yl)propanamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(4-oxocinnolin-1-yl)propanamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(4-oxo-1-cinnolinyl)propanamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(4-oxocinnolin-1-yl)propanamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(4-ketocinnolin-1-yl)propionamide Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=O)CCN3C4=CC=CC=C4C(=O)C=N3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=O)CCN3C4=CC=CC=C4C(=O)C=N3)Cl)OC1

InChI

InChI=1S/C21H20ClN3O4/c22-16-10-14(11-19-21(16)29-9-3-8-28-19)12-23-20(27)6-7-25-17-5-2-1-4-15(17)18(26)13-24-25/h1-2,4-5,10-11,13H,3,6-9,12H2,(H,23,27)