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

Systemtic Name: 2-[(4-fluorophenyl)methyl]-1-(3-phenylprop-1-ynyl)isoquinolin-3-one Openeye Name: 2-[(4-fluorophenyl)methyl]-1-(3-phenylprop-1-ynyl)isoquinolin-3-one CAS Name: 2-[(4-fluorophenyl)methyl]-1-(3-phenylprop-1-ynyl)-3-isoquinolinone IUPAC Name: 2-[(4-fluorophenyl)methyl]-1-(3-phenylprop-1-ynyl)isoquinolin-3-one Traditional Name: 2-(4-fluorobenzyl)-1-(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=C3C=CC=CC3=CC(=O)N2CC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)CC#CC2=C3C=CC=CC3=CC(=O)N2CC4=CC=C(C=C4)F

InChI

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