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

Systemtic Name: 4'-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]spiro[2-benzofuran-3,1'-cyclohexane]-1-one Openeye Name: 4-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]spiro[cyclohexane-1,3'-isobenzofuran]-1'-one CAS Name: 4-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-1'-spiro[cyclohexane-1,3'-isobenzofuran]one IUPAC Name: 4'-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]spiro[2-benzofuran-3,1'-cyclohexane]-1-one Traditional Name: 4-[3-(3-chlorophenyl)-1H-pyrazol-5-yl]spiro[cyclohexane-1,3'-phthalan]-1'-one Formula: C22H19ClN2O2 MolecularWeight: 378.85146

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1C3=CC(=NN3)C4=CC(=CC=C4)Cl)C5=CC=CC=C5C(=O)O2

Isomeric SMILES

C1CC2(CCC1C3=CC(=NN3)C4=CC(=CC=C4)Cl)C5=CC=CC=C5C(=O)O2

InChI

InChI=1S/C22H19ClN2O2/c23-16-5-3-4-15(12-16)20-13-19(24-25-20)14-8-10-22(11-9-14)18-7-2-1-6-17(18)21(26)27-22/h1-7,12-14H,8-11H2,(H,24,25)