1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-4-thiophen-2-yl-butane-1,4-dione

Systemtic Name: 1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-4-thiophen-2-yl-butane-1,4-dione Openeye Name: 1-[4-(3-pyridylmethyl)piperazin-1-yl]-4-(2-thienyl)butane-1,4-dione CAS Name: 1-[4-(3-pyridinylmethyl)-1-piperazinyl]-4-thiophen-2-ylbutane-1,4-dione IUPAC Name: 1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione Traditional Name: 1-[4-(3-pyridylmethyl)piperazino]-4-(2-thienyl)butane-1,4-dione Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CC=C2)C(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1CC2=CN=CC=C2)C(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C18H21N3O2S/c22-16(17-4-2-12-24-17)5-6-18(23)21-10-8-20(9-11-21)14-15-3-1-7-19-13-15/h1-4,7,12-13H,5-6,8-11,14H2