8-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-3-ethyl-4-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 8-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-3-ethyl-4-methyl-7-oxidanyl-chromen-2-one Openeye Name: 8-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-3-ethyl-7-hydroxy-4-methyl-chromen-2-one CAS Name: 8-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-3-ethyl-7-hydroxy-4-methyl-1-benzopyran-2-one IUPAC Name: 8-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-3-ethyl-7-hydroxy-4-methylchromen-2-one Traditional Name: 3-ethyl-7-hydroxy-4-methyl-8-[(4-piperonylpiperazino)methyl]coumarin Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=C(C=C2)O)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)OC1=O)C

Isomeric SMILES

CCC1=C(C2=C(C(=C(C=C2)O)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)OC1=O)C

InChI

InChI=1S/C25H28N2O5/c1-3-18-16(2)19-5-6-21(28)20(24(19)32-25(18)29)14-27-10-8-26(9-11-27)13-17-4-7-22-23(12-17)31-15-30-22/h4-7,12,28H,3,8-11,13-15H2,1-2H3