2-[(4-fluorophenyl)methyl]-7-(3-phenylprop-1-ynyl)isoquinolin-3-one

Systemtic Name: 2-[(4-fluorophenyl)methyl]-7-(3-phenylprop-1-ynyl)isoquinolin-3-one Openeye Name: 2-[(4-fluorophenyl)methyl]-7-(3-phenylprop-1-ynyl)isoquinolin-3-one CAS Name: 2-[(4-fluorophenyl)methyl]-7-(3-phenylprop-1-ynyl)-3-isoquinolinone IUPAC Name: 2-[(4-fluorophenyl)methyl]-7-(3-phenylprop-1-ynyl)isoquinolin-3-one Traditional Name: 2-(4-fluorobenzyl)-7-(3-phenylprop-1-ynyl)-3-isoquinolone Formula: C25H18FNO MolecularWeight: 367.414923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC#CC2=CC3=CN(C(=O)C=C3C=C2)CC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CC#CC2=CC3=CN(C(=O)C=C3C=C2)CC4=CC=C(C=C4)F

InChI

InChI=1S/C25H18FNO/c26-24-13-10-21(11-14-24)17-27-18-23-15-20(9-12-22(23)16-25(27)28)8-4-7-19-5-2-1-3-6-19/h1-3,5-6,9-16,18H,7,17H2