3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyridazin-6-one

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyridazin-6-one Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyridazin-6-one CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyridazin-6-one IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyridazin-6-one Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyridazin-6-one Formula: C13H12N2O3 MolecularWeight: 244.24598

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=NNC(=O)C=C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=NNC(=O)C=C3)OC1

InChI

InChI=1S/C13H12N2O3/c16-13-5-3-10(14-15-13)9-2-4-11-12(8-9)18-7-1-6-17-11/h2-5,8H,1,6-7H2,(H,15,16)