2-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]carbonylphenyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]carbonylphenyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-(3-pyridylmethyl)piperazine-1-carbonyl]phenyl]isoindoline-1,3-dione CAS Name: 2-[3-[oxo-[4-(3-pyridinylmethyl)-1-piperazinyl]methyl]phenyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]phenyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-(3-pyridylmethyl)piperazine-1-carbonyl]phenyl]isoindoline-1,3-quinone Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CC=C2)C(=O)C3=CC(=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1CC2=CN=CC=C2)C(=O)C3=CC(=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H22N4O3/c30-23(28-13-11-27(12-14-28)17-18-5-4-10-26-16-18)19-6-3-7-20(15-19)29-24(31)21-8-1-2-9-22(21)25(29)32/h1-10,15-16H,11-14,17H2