(E)-but-2-enedioic acid; 5-fluoranyl-1-methyl-3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-3H-indol-2-one

Systemtic Name: (E)-but-2-enedioic acid; 5-fluoranyl-1-methyl-3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-3H-indol-2-one Openeye Name: 5-fluoro-1-methyl-3-[2-[4-(1-naphthyl)piperazin-1-yl]ethyl]indolin-2-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 5-fluoro-1-methyl-3-[2-[4-(1-naphthalenyl)-1-piperazinyl]ethyl]-3H-indol-2-one IUPAC Name: (E)-but-2-enedioic acid; 5-fluoro-1-methyl-3-[2-(4-naphthalen-1-ylpiperazin-1-yl)ethyl]-3H-indol-2-one Traditional Name: 5-fluoro-1-methyl-3-[2-[4-(1-naphthyl)piperazino]ethyl]oxindole; fumaric acid Formula: C29H30FN3O5 MolecularWeight: 519.564003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)F)C(C1=O)CCN3CCN(CC3)C4=CC=CC5=CC=CC=C54.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1C2=C(C=C(C=C2)F)C(C1=O)CCN3CCN(CC3)C4=CC=CC5=CC=CC=C54.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C25H26FN3O.C4H4O4/c1-27-23-10-9-19(26)17-22(23)21(25(27)30)11-12-28-13-15-29(16-14-28)24-8-4-6-18-5-2-3-7-20(18)24;5-3(6)1-2-4(7)8/h2-10,17,21H,11-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+