(E)-but-2-enedioic acid; 2-[1-methoxy-2-(4-phenylpiperazin-1-yl)ethyl]-3-methyl-pyrazine

Systemtic Name: (E)-but-2-enedioic acid; 2-[1-methoxy-2-(4-phenylpiperazin-1-yl)ethyl]-3-methyl-pyrazine Openeye Name: fumaric acid; 2-[1-methoxy-2-(4-phenylpiperazin-1-yl)ethyl]-3-methyl-pyrazine CAS Name: (E)-2-butenedioic acid; 2-[1-methoxy-2-(4-phenyl-1-piperazinyl)ethyl]-3-methylpyrazine IUPAC Name: (E)-but-2-enedioic acid; 2-[1-methoxy-2-(4-phenylpiperazin-1-yl)ethyl]-3-methylpyrazine Traditional Name: fumaric acid; 2-[1-methoxy-2-(4-phenylpiperazino)ethyl]-3-methyl-pyrazine Formula: C22H28N4O5 MolecularWeight: 428.48152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN=C1C(CN2CCN(CC2)C3=CC=CC=C3)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC=CN=C1C(CN2CCN(CC2)C3=CC=CC=C3)OC.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H24N4O.C4H4O4/c1-15-18(20-9-8-19-15)17(23-2)14-21-10-12-22(13-11-21)16-6-4-3-5-7-16;5-3(6)1-2-4(7)8/h3-9,17H,10-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+