2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-7-methoxy-chromen-4-one

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-7-methoxy-chromen-4-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-7-methoxy-chromen-4-one CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-7-methoxy-1-benzopyran-4-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-7-methoxychromen-4-one Traditional Name: 7-methoxy-2-(4-piperonylpiperazine-1-carbonyl)chromone Formula: C23H22N2O6 MolecularWeight: 422.43058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)C=C(O2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)C=C(O2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H22N2O6/c1-28-16-3-4-17-18(26)12-22(31-20(17)11-16)23(27)25-8-6-24(7-9-25)13-15-2-5-19-21(10-15)30-14-29-19/h2-5,10-12H,6-9,13-14H2,1H3