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

Systemtic Name: 8-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-4-methyl-7-oxidanyl-3-propyl-chromen-2-one Openeye Name: 8-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-7-hydroxy-4-methyl-3-propyl-chromen-2-one CAS Name: 8-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]-7-hydroxy-4-methyl-3-propyl-1-benzopyran-2-one IUPAC Name: 8-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-7-hydroxy-4-methyl-3-propylchromen-2-one Traditional Name: 7-hydroxy-4-methyl-8-[(4-piperonylpiperazino)methyl]-3-propyl-coumarin Formula: C26H30N2O5 MolecularWeight: 450.5268

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(C(=C(C=C2)O)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)OC1=O)C

Isomeric SMILES

CCCC1=C(C2=C(C(=C(C=C2)O)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)OC1=O)C

InChI

InChI=1S/C26H30N2O5/c1-3-4-20-17(2)19-6-7-22(29)21(25(19)33-26(20)30)15-28-11-9-27(10-12-28)14-18-5-8-23-24(13-18)32-16-31-23/h5-8,13,29H,3-4,9-12,14-16H2,1-2H3