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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C26H32N2O5/c1-3-4-15-31-22-8-5-20(16-24(22)30-2)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+