2-[[3-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]carbonylphenyl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[3-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]carbonylphenyl]methyl]isoindole-1,3-dione Openeye Name: 2-[[3-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]phenyl]methyl]isoindoline-1,3-dione CAS Name: 2-[[3-[[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]phenyl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[3-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]phenyl]methyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzyl]isoindoline-1,3-quinone Formula: C27H22FN3O4 MolecularWeight: 471.479683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=C(C=C2)F)C(=O)C3=CC(=CC=C3)CN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=C(C=C2)F)C(=O)C3=CC(=CC=C3)CN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C27H22FN3O4/c28-21-10-8-19(9-11-21)24(32)29-12-14-30(15-13-29)25(33)20-5-3-4-18(16-20)17-31-26(34)22-6-1-2-7-23(22)27(31)35/h1-11,16H,12-15,17H2