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

Systemtic Name: 4'-[3-(2-phenylpyridin-4-yl)-1H-pyrazol-5-yl]spiro[2-benzofuran-3,1'-cyclohexane]-1-one Openeye Name: 4-[3-(2-phenyl-4-pyridyl)-1H-pyrazol-5-yl]spiro[cyclohexane-1,3'-isobenzofuran]-1'-one CAS Name: 4-[3-(2-phenyl-4-pyridinyl)-1H-pyrazol-5-yl]-1'-spiro[cyclohexane-1,3'-isobenzofuran]one IUPAC Name: 4'-[3-(2-phenylpyridin-4-yl)-1H-pyrazol-5-yl]spiro[2-benzofuran-3,1'-cyclohexane]-1-one Traditional Name: 4-[3-(2-phenyl-4-pyridyl)-1H-pyrazol-5-yl]spiro[cyclohexane-1,3'-phthalan]-1'-one Formula: C27H23N3O2 MolecularWeight: 421.49042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H23N3O2/c31-26-21-8-4-5-9-22(21)27(32-26)13-10-19(11-14-27)24-17-25(30-29-24)20-12-15-28-23(16-20)18-6-2-1-3-7-18/h1-9,12,15-17,19H,10-11,13-14H2,(H,29,30)