(Z)-but-2-enedioate; 1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one

Systemtic Name: (Z)-but-2-enedioate; 1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one Openeye Name: (Z)-but-2-enedioate; 1-(4-fluorophenyl)-4-[4-(2-pyridyl)piperazin-1-yl]butan-1-one CAS Name: (Z)-2-butenedioate; 1-(4-fluorophenyl)-4-[4-(2-pyridinyl)-1-piperazinyl]-1-butanone IUPAC Name: (Z)-but-2-enedioate; 1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one Traditional Name: 1-(4-fluorophenyl)-4-[4-(2-pyridyl)piperazino]butan-1-one dimaleate Formula: C27H26FN3O9-4 MolecularWeight: 555.508443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=N3.C(=CC(=O)[O-])C(=O)[O-].C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1N(CCN(C1)C2=CC=CC=N2)CCCC(=O)C3=CC=C(C=C3)F.C(=C\C(=O)[O-])\C(=O)[O-].C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C19H22FN3O.2C4H4O4/c20-17-8-6-16(7-9-17)18(24)4-3-11-22-12-14-23(15-13-22)19-5-1-2-10-21-19;2*5-3(6)1-2-4(7)8/h1-2,5-10H,3-4,11-15H2;2*1-2H,(H,5,6)(H,7,8)/p-4/b;2*2-1-