1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one

Systemtic Name: 1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one Openeye Name: 1-[4-(3-thienylmethyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one CAS Name: 1-[4-(3-thiophenylmethyl)-1-piperazinyl]-3-(3,4,5-trimethoxyphenyl)-1-propanone IUPAC Name: 1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one Traditional Name: 1-[4-(3-thenyl)piperazino]-3-(3,4,5-trimethoxyphenyl)propan-1-one Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)N2CCN(CC2)CC3=CSC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)N2CCN(CC2)CC3=CSC=C3

InChI

InChI=1S/C21H28N2O4S/c1-25-18-12-16(13-19(26-2)21(18)27-3)4-5-20(24)23-9-7-22(8-10-23)14-17-6-11-28-15-17/h6,11-13,15H,4-5,7-10,14H2,1-3H3