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

Systemtic Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5,7,8-trimethyl-chromen-2-one Openeye Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5,7,8-trimethyl-chromen-2-one CAS Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-5,7,8-trimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5,7,8-trimethylchromen-2-one Traditional Name: 5,7,8-trimethyl-4-[(4-piperonylpiperazino)methyl]coumarin Formula: C25H28N2O4 MolecularWeight: 420.50082

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=CC(=O)O2)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C)C

Isomeric SMILES

CC1=CC(=C(C2=C1C(=CC(=O)O2)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C)C

InChI

InChI=1S/C25H28N2O4/c1-16-10-17(2)24-20(12-23(28)31-25(24)18(16)3)14-27-8-6-26(7-9-27)13-19-4-5-21-22(11-19)30-15-29-21/h4-5,10-12H,6-9,13-15H2,1-3H3