3-[4-(3-chlorophenyl)piperazin-1-yl]propanenitrile; ethanedioic acid

Systemtic Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]propanenitrile; ethanedioic acid Openeye Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]propanenitrile; oxalic acid CAS Name: 3-[4-(3-chlorophenyl)-1-piperazinyl]propanenitrile; oxalic acid IUPAC Name: 3-[4-(3-chlorophenyl)piperazin-1-yl]propanenitrile; oxalic acid Traditional Name: 3-[4-(3-chlorophenyl)piperazino]propionitrile; oxalic acid Formula: C15H18ClN3O4 MolecularWeight: 339.77412

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC#N)C2=CC(=CC=C2)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCC#N)C2=CC(=CC=C2)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H16ClN3.C2H2O4/c14-12-3-1-4-13(11-12)17-9-7-16(8-10-17)6-2-5-15;3-1(4)2(5)6/h1,3-4,11H,2,6-10H2;(H,3,4)(H,5,6)