(E)-but-2-enedioic acid; [4-(phenylmethyl)piperazin-1-yl]-pyridin-2-yl-methanone

Systemtic Name: (E)-but-2-enedioic acid; [4-(phenylmethyl)piperazin-1-yl]-pyridin-2-yl-methanone Openeye Name: (4-benzylpiperazin-1-yl)-(2-pyridyl)methanone; fumaric acid CAS Name: (E)-2-butenedioic acid; [4-(phenylmethyl)-1-piperazinyl]-(2-pyridinyl)methanone IUPAC Name: (4-benzylpiperazin-1-yl)-pyridin-2-ylmethanone; (E)-but-2-enedioic acid Traditional Name: (4-benzylpiperazino)-(2-pyridyl)methanone; fumaric acid Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=CC=N3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=CC=N3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H19N3O.C4H4O4/c21-17(16-8-4-5-9-18-16)20-12-10-19(11-13-20)14-15-6-2-1-3-7-15;5-3(6)1-2-4(7)8/h1-9H,10-14H2;1-2H,(H,5,6)(H,7,8)/b;2-1+