1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(2-methoxyphenyl)amino]ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(2-methoxyphenyl)amino]ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-methoxyanilino)ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(2-methoxyanilino)ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-methoxyanilino)ethanone Traditional Name: 2-(o-anisidino)-1-(4-piperonylpiperazino)ethanone Formula: C21H25N3O4 MolecularWeight: 383.4409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC=C1NCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O4/c1-26-18-5-3-2-4-17(18)22-13-21(25)24-10-8-23(9-11-24)14-16-6-7-19-20(12-16)28-15-27-19/h2-7,12,22H,8-11,13-15H2,1H3