4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole; ethanedioic acid

Systemtic Name: 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole; ethanedioic acid Openeye Name: 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-(2-thienyl)oxazole; oxalic acid CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-2-thiophen-2-yloxazole; oxalic acid IUPAC Name: 4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole; oxalic acid Traditional Name: 4-[[4-(3-chlorophenyl)piperazino]methyl]-2-(2-thienyl)oxazole; oxalic acid Formula: C20H20ClN3O5S MolecularWeight: 449.9079

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=COC(=N2)C3=CC=CS3)C4=CC(=CC=C4)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=COC(=N2)C3=CC=CS3)C4=CC(=CC=C4)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H18ClN3OS.C2H2O4/c19-14-3-1-4-16(11-14)22-8-6-21(7-9-22)12-15-13-23-18(20-15)17-5-2-10-24-17;3-1(4)2(5)6/h1-5,10-11,13H,6-9,12H2;(H,3,4)(H,5,6)