2-butyl-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione

Systemtic Name: 2-butyl-5-[4-(pyridin-4-ylmethyl)piperazin-1-yl]carbonyl-isoindole-1,3-dione Openeye Name: 2-butyl-5-[4-(4-pyridylmethyl)piperazine-1-carbonyl]isoindoline-1,3-dione CAS Name: 2-butyl-5-[oxo-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 2-butyl-5-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]isoindole-1,3-dione Traditional Name: 2-butyl-5-[4-(4-pyridylmethyl)piperazine-1-carbonyl]isoindoline-1,3-quinone Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=NC=C4

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=NC=C4

InChI

InChI=1S/C23H26N4O3/c1-2-3-10-27-22(29)19-5-4-18(15-20(19)23(27)30)21(28)26-13-11-25(12-14-26)16-17-6-8-24-9-7-17/h4-9,15H,2-3,10-14,16H2,1H3