(E)-but-2-enedioic acid; 3-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propanenitrile

Systemtic Name: (E)-but-2-enedioic acid; 3-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propanenitrile Openeye Name: fumaric acid; 3-[4-[3-(1-piperidyl)propanoyl]piperazin-1-yl]propanenitrile CAS Name: (E)-2-butenedioic acid; 3-[4-[1-oxo-3-(1-piperidinyl)propyl]-1-piperazinyl]propanenitrile IUPAC Name: (E)-but-2-enedioic acid; 3-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propanenitrile Traditional Name: fumaric acid; 3-[4-(3-piperidinopropanoyl)piperazino]propionitrile Formula: C19H30N4O5 MolecularWeight: 394.4653

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC(=O)N2CCN(CC2)CCC#N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCN(CC1)CCC(=O)N2CCN(CC2)CCC#N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H26N4O.C4H4O4/c16-6-4-9-18-11-13-19(14-12-18)15(20)5-10-17-7-2-1-3-8-17;5-3(6)1-2-4(7)8/h1-5,7-14H2;1-2H,(H,5,6)(H,7,8)/b;2-1+