(E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(3-ethoxy-4-propoxy-phenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(3-ethoxy-4-propoxy-phenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(3-ethoxy-4-propoxy-phenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(3-ethoxy-4-propoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(3-ethoxy-4-propoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-(3-ethoxy-4-propoxy-phenyl)-1-(4-piperonylpiperazino)prop-2-en-1-one Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OCC

InChI

InChI=1S/C26H32N2O5/c1-3-15-31-22-8-5-20(16-24(22)30-4-2)7-10-26(29)28-13-11-27(12-14-28)18-21-6-9-23-25(17-21)33-19-32-23/h5-10,16-17H,3-4,11-15,18-19H2,1-2H3/b10-7+