2-(3-methoxypropyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-isoindole-1,3-dione

Systemtic Name: 2-(3-methoxypropyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-isoindole-1,3-dione Openeye Name: 2-(3-methoxypropyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)isoindoline-1,3-dione CAS Name: 2-(3-methoxypropyl)-5-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-(3-methoxypropyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)isoindole-1,3-dione Traditional Name: 2-(3-methoxypropyl)-5-[4-(2-pyrimidyl)piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H23N5O4/c1-30-13-3-8-26-19(28)16-5-4-15(14-17(16)20(26)29)18(27)24-9-11-25(12-10-24)21-22-6-2-7-23-21/h2,4-7,14H,3,8-13H2,1H3