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

Systemtic Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(3-methoxy-4-propoxy-phenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(3-methoxy-4-propoxy-phenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(3-methoxy-4-propoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(3-methoxy-4-propoxyphenyl)prop-2-en-1-one Traditional Name: (E)-3-(3-methoxy-4-propoxy-phenyl)-1-(4-piperonylpiperazino)prop-2-en-1-one Formula: C25H30N2O5 MolecularWeight: 438.5161

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O5/c1-3-14-30-21-7-4-19(15-23(21)29-2)6-9-25(28)27-12-10-26(11-13-27)17-20-5-8-22-24(16-20)32-18-31-22/h4-9,15-16H,3,10-14,17-18H2,1-2H3/b9-6+