5-[(3-fluoranylphenoxy)methyl]-N-(isoquinolin-5-ylmethyl)-N-methyl-1H-pyrazole-3-carboxamide

Systemtic Name: 5-[(3-fluoranylphenoxy)methyl]-N-(isoquinolin-5-ylmethyl)-N-methyl-1H-pyrazole-3-carboxamide Openeye Name: 5-[(3-fluorophenoxy)methyl]-N-(5-isoquinolylmethyl)-N-methyl-1H-pyrazole-3-carboxamide CAS Name: 5-[(3-fluorophenoxy)methyl]-N-(5-isoquinolinylmethyl)-N-methyl-1H-pyrazole-3-carboxamide IUPAC Name: 5-[(3-fluorophenoxy)methyl]-N-(isoquinolin-5-ylmethyl)-N-methyl-1H-pyrazole-3-carboxamide Traditional Name: 5-[(3-fluorophenoxy)methyl]-N-(5-isoquinolylmethyl)-N-methyl-1H-pyrazole-3-carboxamide Formula: C22H19FN4O2 MolecularWeight: 390.410263

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC2=C1C=CN=C2)C(=O)C3=NNC(=C3)COC4=CC(=CC=C4)F

Isomeric SMILES

CN(CC1=CC=CC2=C1C=CN=C2)C(=O)C3=NNC(=C3)COC4=CC(=CC=C4)F

InChI

InChI=1S/C22H19FN4O2/c1-27(13-16-5-2-4-15-12-24-9-8-20(15)16)22(28)21-11-18(25-26-21)14-29-19-7-3-6-17(23)10-19/h2-12H,13-14H2,1H3,(H,25,26)