4'-[3-(2-phenylpyrimidin-4-yl)-1H-pyrazol-5-yl]spiro[2-benzofuran-3,1'-cyclohexane]-1-one

Systemtic Name: 4'-[3-(2-phenylpyrimidin-4-yl)-1H-pyrazol-5-yl]spiro[2-benzofuran-3,1'-cyclohexane]-1-one Openeye Name: 4-[3-(2-phenylpyrimidin-4-yl)-1H-pyrazol-5-yl]spiro[cyclohexane-1,3'-isobenzofuran]-1'-one CAS Name: 4-[3-(2-phenyl-4-pyrimidinyl)-1H-pyrazol-5-yl]-1'-spiro[cyclohexane-1,3'-isobenzofuran]one IUPAC Name: 4'-[3-(2-phenylpyrimidin-4-yl)-1H-pyrazol-5-yl]spiro[2-benzofuran-3,1'-cyclohexane]-1-one Traditional Name: 4-[3-(2-phenylpyrimidin-4-yl)-1H-pyrazol-5-yl]spiro[cyclohexane-1,3'-phthalan]-1'-one Formula: C26H22N4O2 MolecularWeight: 422.47848

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1C3=CC(=NN3)C4=NC(=NC=C4)C5=CC=CC=C5)C6=CC=CC=C6C(=O)O2

Isomeric SMILES

C1CC2(CCC1C3=CC(=NN3)C4=NC(=NC=C4)C5=CC=CC=C5)C6=CC=CC=C6C(=O)O2

InChI

InChI=1S/C26H22N4O2/c31-25-19-8-4-5-9-20(19)26(32-25)13-10-17(11-14-26)22-16-23(30-29-22)21-12-15-27-24(28-21)18-6-2-1-3-7-18/h1-9,12,15-17H,10-11,13-14H2,(H,29,30)