1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone

Systemtic Name: 1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone Openeye Name: 1-[4-(3-thienylmethyl)piperazin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone CAS Name: 1-[4-(3-thiophenylmethyl)-1-piperazinyl]-2-(2,3,4-trimethoxyphenyl)ethanone IUPAC Name: 1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone Traditional Name: 1-[4-(3-thenyl)piperazino]-2-(2,3,4-trimethoxyphenyl)ethanone Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CC(=O)N2CCN(CC2)CC3=CSC=C3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CC(=O)N2CCN(CC2)CC3=CSC=C3)OC)OC

InChI

InChI=1S/C20H26N2O4S/c1-24-17-5-4-16(19(25-2)20(17)26-3)12-18(23)22-9-7-21(8-10-22)13-15-6-11-27-14-15/h4-6,11,14H,7-10,12-13H2,1-3H3