3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-8-methoxy-chromen-2-one

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-8-methoxy-chromen-2-one Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-8-methoxy-chromen-2-one CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-8-methoxy-1-benzopyran-2-one IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-8-methoxychromen-2-one Traditional Name: 8-methoxy-3-(4-piperonylpiperazine-1-carbonyl)coumarin Formula: C23H22N2O6 MolecularWeight: 422.43058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

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