5-(furan-2-yl)-6-isoquinolin-1-yl-2,2-dimethyl-hexan-3-one

Systemtic Name: 5-(furan-2-yl)-6-isoquinolin-1-yl-2,2-dimethyl-hexan-3-one Openeye Name: 5-(2-furyl)-6-(1-isoquinolyl)-2,2-dimethyl-hexan-3-one CAS Name: 5-(2-furanyl)-6-(1-isoquinolinyl)-2,2-dimethyl-3-hexanone IUPAC Name: 5-(furan-2-yl)-6-isoquinolin-1-yl-2,2-dimethylhexan-3-one Traditional Name: 5-(2-furyl)-6-(1-isoquinolyl)-2,2-dimethyl-hexan-3-one Formula: C21H23NO2 MolecularWeight: 321.41282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CC(CC1=NC=CC2=CC=CC=C21)C3=CC=CO3

Isomeric SMILES

CC(C)(C)C(=O)CC(CC1=NC=CC2=CC=CC=C21)C3=CC=CO3

InChI

InChI=1S/C21H23NO2/c1-21(2,3)20(23)14-16(19-9-6-12-24-19)13-18-17-8-5-4-7-15(17)10-11-22-18/h4-12,16H,13-14H2,1-3H3