3-[2-[3-(2-methyl-5-pyridin-4-yl-pyrimidin-4-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one

Systemtic Name: 3-[2-[3-(2-methyl-5-pyridin-4-yl-pyrimidin-4-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one Openeye Name: 3-[2-[3-[2-methyl-5-(4-pyridyl)pyrimidin-4-yl]-1-piperidyl]-2-oxo-ethyl]-3H-isobenzofuran-1-one CAS Name: 3-[2-[3-(2-methyl-5-pyridin-4-yl-4-pyrimidinyl)-1-piperidinyl]-2-oxoethyl]-3H-isobenzofuran-1-one IUPAC Name: 3-[2-[3-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]-2-oxoethyl]-3H-2-benzofuran-1-one Traditional Name: 3-[2-keto-2-[3-[2-methyl-5-(4-pyridyl)pyrimidin-4-yl]piperidino]ethyl]phthalide Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)C2CCCN(C2)C(=O)CC3C4=CC=CC=C4C(=O)O3)C5=CC=NC=C5

Isomeric SMILES

CC1=NC=C(C(=N1)C2CCCN(C2)C(=O)CC3C4=CC=CC=C4C(=O)O3)C5=CC=NC=C5

InChI

InChI=1S/C25H24N4O3/c1-16-27-14-21(17-8-10-26-11-9-17)24(28-16)18-5-4-12-29(15-18)23(30)13-22-19-6-2-3-7-20(19)25(31)32-22/h2-3,6-11,14,18,22H,4-5,12-13,15H2,1H3