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

Systemtic Name: 4-[4-(2-ethylbutanoyl)piperazin-1-yl]-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Openeye Name: 4-[4-(2-ethylbutanoyl)piperazin-1-yl]-2-(3-pyridylmethyl)isoindoline-1,3-dione CAS Name: 4-[4-(2-ethyl-1-oxobutyl)-1-piperazinyl]-2-(3-pyridinylmethyl)isoindole-1,3-dione IUPAC Name: 4-[4-(2-ethylbutanoyl)piperazin-1-yl]-2-(pyridin-3-ylmethyl)isoindole-1,3-dione Traditional Name: 4-[4-(2-ethylbutanoyl)piperazino]-2-(3-pyridylmethyl)isoindoline-1,3-quinone Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O3/c1-3-18(4-2)22(29)27-13-11-26(12-14-27)20-9-5-8-19-21(20)24(31)28(23(19)30)16-17-7-6-10-25-15-17/h5-10,15,18H,3-4,11-14,16H2,1-2H3