3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-6,7-dimethoxy-chromen-2-one

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonyl-6,7-dimethoxy-chromen-2-one Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-6,7-dimethoxy-chromen-2-one CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-6,7-dimethoxy-1-benzopyran-2-one IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-6,7-dimethoxychromen-2-one Traditional Name: 6,7-dimethoxy-3-(4-piperonylpiperazine-1-carbonyl)coumarin Formula: C24H24N2O7 MolecularWeight: 452.45656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=O)O2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)O2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C24H24N2O7/c1-29-20-11-16-10-17(24(28)33-19(16)12-21(20)30-2)23(27)26-7-5-25(6-8-26)13-15-3-4-18-22(9-15)32-14-31-18/h3-4,9-12H,5-8,13-14H2,1-2H3