3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]propanenitrile; ethanedioic acid

Systemtic Name: 3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]propanenitrile; ethanedioic acid Openeye Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]propanenitrile; oxalic acid CAS Name: 3-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]propanenitrile; oxalic acid IUPAC Name: 3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propanenitrile; oxalic acid Traditional Name: 3-[4-(5-chloro-2-methyl-phenyl)piperazino]propionitrile; oxalic acid Formula: C16H20ClN3O4 MolecularWeight: 353.8007

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CCC#N.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)CCC#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H18ClN3.C2H2O4/c1-12-3-4-13(15)11-14(12)18-9-7-17(8-10-18)6-2-5-16;3-1(4)2(5)6/h3-4,11H,2,6-10H2,1H3;(H,3,4)(H,5,6)