1-(5-chloranylthiophen-2-yl)-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-(5-chloro-2-thienyl)-4-[4-(3-pyridylmethyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(5-chloro-2-thiophenyl)-4-[4-(3-pyridinylmethyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(5-chlorothiophen-2-yl)-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]butane-1,4-dione Traditional Name: 1-(5-chloro-2-thienyl)-4-[4-(3-pyridylmethyl)piperazino]butane-1,4-dione Formula: C18H20ClN3O2S MolecularWeight: 377.8883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CC=C2)C(=O)CCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1CN(CCN1CC2=CN=CC=C2)C(=O)CCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C18H20ClN3O2S/c19-17-5-4-16(25-17)15(23)3-6-18(24)22-10-8-21(9-11-22)13-14-2-1-7-20-12-14/h1-2,4-5,7,12H,3,6,8-11,13H2