(E)-but-2-enedioic acid; 5-[4-(diphenylmethyl)piperazin-1-yl]pentan-2-one

Systemtic Name: (E)-but-2-enedioic acid; 5-[4-(diphenylmethyl)piperazin-1-yl]pentan-2-one Openeye Name: 5-(4-benzhydrylpiperazin-1-yl)pentan-2-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 5-[4-(diphenylmethyl)-1-piperazinyl]-2-pentanone IUPAC Name: 5-(4-benzhydrylpiperazin-1-yl)pentan-2-one; (E)-but-2-enedioic acid Traditional Name: 5-(4-benzhydrylpiperazino)pentan-2-one; fumaric acid Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)CCCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H28N2O.C4H4O4/c1-19(25)9-8-14-23-15-17-24(18-16-23)22(20-10-4-2-5-11-20)21-12-6-3-7-13-21;5-3(6)1-2-4(7)8/h2-7,10-13,22H,8-9,14-18H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+