2-(2-methylpropyl)-5-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-isoindole-1,3-dione

Systemtic Name: 2-(2-methylpropyl)-5-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-isoindole-1,3-dione Openeye Name: 2-isobutyl-5-[4-(2-pyridyl)piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-(2-methylpropyl)-5-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-(2-methylpropyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)isoindole-1,3-dione Traditional Name: 2-isobutyl-5-[4-(2-pyridyl)piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C22H24N4O3/c1-15(2)14-26-21(28)17-7-6-16(13-18(17)22(26)29)20(27)25-11-9-24(10-12-25)19-5-3-4-8-23-19/h3-8,13,15H,9-12,14H2,1-2H3