4-(4-propanoylpiperazin-1-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione

Systemtic Name: 4-(4-propanoylpiperazin-1-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Openeye Name: 4-(4-propanoylpiperazin-1-yl)-2-(3-pyridylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-(1-oxopropyl)-1-piperazinyl]-2-(3-pyridinylmethyl)isoindole-1,3-dione IUPAC Name: 4-(4-propanoylpiperazin-1-yl)-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Traditional Name: 4-(4-propionylpiperazino)-2-(3-pyridylmethyl)isoindoline-1,3-quinone Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=CN=CC=C4

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC=CC3=C2C(=O)N(C3=O)CC4=CN=CC=C4

InChI

InChI=1S/C21H22N4O3/c1-2-18(26)24-11-9-23(10-12-24)17-7-3-6-16-19(17)21(28)25(20(16)27)14-15-5-4-8-22-13-15/h3-8,13H,2,9-12,14H2,1H3