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

Systemtic Name: 4'-(3-quinolin-2-yl-1H-pyrazol-5-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one Openeye Name: 4-[3-(2-quinolyl)-1H-pyrazol-5-yl]spiro[cyclohexane-1,3'-isobenzofuran]-1'-one CAS Name: 4-[3-(2-quinolinyl)-1H-pyrazol-5-yl]-1'-spiro[cyclohexane-1,3'-isobenzofuran]one IUPAC Name: 4'-(3-quinolin-2-yl-1H-pyrazol-5-yl)spiro[2-benzofuran-3,1'-cyclohexane]-1-one Traditional Name: 4-[3-(2-quinolyl)-1H-pyrazol-5-yl]spiro[cyclohexane-1,3'-phthalan]-1'-one Formula: C25H21N3O2 MolecularWeight: 395.45314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1C3=CC(=NN3)C4=NC5=CC=CC=C5C=C4)C6=CC=CC=C6C(=O)O2

Isomeric SMILES

C1CC2(CCC1C3=CC(=NN3)C4=NC5=CC=CC=C5C=C4)C6=CC=CC=C6C(=O)O2

InChI

InChI=1S/C25H21N3O2/c29-24-18-6-2-3-7-19(18)25(30-24)13-11-17(12-14-25)22-15-23(28-27-22)21-10-9-16-5-1-4-8-20(16)26-21/h1-10,15,17H,11-14H2,(H,27,28)