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

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-7-ethyl-chromen-2-one Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-7-ethyl-chromen-2-one CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-7-ethylchromen-2-one Traditional Name: 7-ethyl-4-[(4-piperonylpiperazino)methyl]coumarin Formula: C24H26N2O4 MolecularWeight: 406.47424

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H26N2O4/c1-2-17-3-5-20-19(13-24(27)30-22(20)11-17)15-26-9-7-25(8-10-26)14-18-4-6-21-23(12-18)29-16-28-21/h3-6,11-13H,2,7-10,14-16H2,1H3