3-(1,3-benzodioxol-5-yl)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(coumaran-5-ylmethyl)piperazino]propan-1-one Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)CCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)CCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H26N2O4/c26-23(6-3-17-1-5-21-22(14-17)29-16-28-21)25-10-8-24(9-11-25)15-18-2-4-20-19(13-18)7-12-27-20/h1-2,4-5,13-14H,3,6-12,15-16H2