2-[2-(4-fluorophenyl)ethyl]-4-(4-pyrazin-2-ylcarbonylpiperazin-1-yl)isoindole-1,3-dione

Systemtic Name: 2-[2-(4-fluorophenyl)ethyl]-4-(4-pyrazin-2-ylcarbonylpiperazin-1-yl)isoindole-1,3-dione Openeye Name: 2-[2-(4-fluorophenyl)ethyl]-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]isoindoline-1,3-dione CAS Name: 2-[2-(4-fluorophenyl)ethyl]-4-[4-[oxo(2-pyrazinyl)methyl]-1-piperazinyl]isoindole-1,3-dione IUPAC Name: 2-[2-(4-fluorophenyl)ethyl]-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]isoindole-1,3-dione Traditional Name: 2-[2-(4-fluorophenyl)ethyl]-4-(4-pyrazinoylpiperazino)isoindoline-1,3-quinone Formula: C25H22FN5O3 MolecularWeight: 459.472283

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC3=C2C(=O)N(C3=O)CCC4=CC=C(C=C4)F)C(=O)C5=NC=CN=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC3=C2C(=O)N(C3=O)CCC4=CC=C(C=C4)F)C(=O)C5=NC=CN=C5

InChI

InChI=1S/C25H22FN5O3/c26-18-6-4-17(5-7-18)8-11-31-23(32)19-2-1-3-21(22(19)25(31)34)29-12-14-30(15-13-29)24(33)20-16-27-9-10-28-20/h1-7,9-10,16H,8,11-15H2