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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(3,4-diethoxyphenyl)propan-1-one Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(3,4-diethoxyphenyl)propan-1-one CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-(3,4-diethoxyphenyl)-1-propanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-(3,4-diethoxyphenyl)propan-1-one Traditional Name: 3-(3,4-diethoxyphenyl)-1-(4-piperonylpiperazino)propan-1-one Formula: C25H32N2O5 MolecularWeight: 440.53198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)OCC

InChI

InChI=1S/C25H32N2O5/c1-3-29-21-8-5-19(15-23(21)30-4-2)7-10-25(28)27-13-11-26(12-14-27)17-20-6-9-22-24(16-20)32-18-31-22/h5-6,8-9,15-16H,3-4,7,10-14,17-18H2,1-2H3