4-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-2-(pyridin-3-ylmethyl)isoindole-1,3-dione

Systemtic Name: 4-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(3-pyridylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-2-(3-pyridinylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[4-(4-fluorobenzoyl)piperazino]-2-(3-pyridylmethyl)isoindoline-1,3-quinone Formula: C25H21FN4O3 MolecularWeight: 444.457643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC3=C2C(=O)N(C3=O)CC4=CN=CC=C4)C(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC3=C2C(=O)N(C3=O)CC4=CN=CC=C4)C(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H21FN4O3/c26-19-8-6-18(7-9-19)23(31)29-13-11-28(12-14-29)21-5-1-4-20-22(21)25(33)30(24(20)32)16-17-3-2-10-27-15-17/h1-10,15H,11-14,16H2