(E)-but-2-enedioic acid; N-[(3-chlorophenyl)methyl]-6-piperazin-1-yl-pyrazin-2-amine

Systemtic Name: (E)-but-2-enedioic acid; N-[(3-chlorophenyl)methyl]-6-piperazin-1-yl-pyrazin-2-amine Openeye Name: N-[(3-chlorophenyl)methyl]-6-piperazin-1-yl-pyrazin-2-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; N-[(3-chlorophenyl)methyl]-6-(1-piperazinyl)-2-pyrazinamine IUPAC Name: (E)-but-2-enedioic acid; N-[(3-chlorophenyl)methyl]-6-piperazin-1-ylpyrazin-2-amine Traditional Name: (3-chlorobenzyl)-(6-piperazinopyrazin-2-yl)amine; fumaric acid Formula: C19H22ClN5O4 MolecularWeight: 419.86208

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CN=CC(=N2)NCC3=CC(=CC=C3)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=CN=CC(=N2)NCC3=CC(=CC=C3)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H18ClN5.C4H4O4/c16-13-3-1-2-12(8-13)9-19-14-10-18-11-15(20-14)21-6-4-17-5-7-21;5-3(6)1-2-4(7)8/h1-3,8,10-11,17H,4-7,9H2,(H,19,20);1-2H,(H,5,6)(H,7,8)/b;2-1+