3-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]carbonylchromen-2-one

Systemtic Name: 3-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]carbonylchromen-2-one Openeye Name: 3-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazine-1-carbonyl]chromen-2-one CAS Name: 3-[[4-[6-(1,3-benzodioxol-5-yl)-3-pyridazinyl]-1-piperazinyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazine-1-carbonyl]chromen-2-one Traditional Name: 3-[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazine-1-carbonyl]coumarin Formula: C25H20N4O5 MolecularWeight: 456.4501

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC6=CC=CC=C6OC5=O

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)C3=CC4=C(C=C3)OCO4)C(=O)C5=CC6=CC=CC=C6OC5=O

InChI

InChI=1S/C25H20N4O5/c30-24(18-13-17-3-1-2-4-20(17)34-25(18)31)29-11-9-28(10-12-29)23-8-6-19(26-27-23)16-5-7-21-22(14-16)33-15-32-21/h1-8,13-14H,9-12,15H2