N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-oxidanylidenecinnolin-1-yl)propanamide

Systemtic Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-oxidanylidenecinnolin-1-yl)propanamide Openeye Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-oxocinnolin-1-yl)propanamide CAS Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-oxo-1-cinnolinyl)propanamide IUPAC Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-oxocinnolin-1-yl)propanamide Traditional Name: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(4-ketocinnolin-1-yl)propionamide Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4/c24-17-13-21-23(16-5-2-1-4-15(16)17)9-8-20(25)22-14-6-7-18-19(12-14)27-11-3-10-26-18/h1-2,4-7,12-13H,3,8-11H2,(H,22,25)