[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-ethoxy-3-methoxy-phenyl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-ethoxy-3-methoxy-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-ethoxy-3-methoxy-phenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(4-ethoxy-3-methoxyphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone Traditional Name: (4-ethoxy-3-methoxy-phenyl)-(4-piperonylpiperazino)methanone Formula: C22H26N2O5 MolecularWeight: 398.45224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5/c1-3-27-18-7-5-17(13-20(18)26-2)22(25)24-10-8-23(9-11-24)14-16-4-6-19-21(12-16)29-15-28-19/h4-7,12-13H,3,8-11,14-15H2,1-2H3