5-[(2-fluoranylphenoxy)methyl]-N-(isoquinolin-5-ylmethyl)-N-methyl-1H-pyrazole-3-carboxamide

Systemtic Name: 5-[(2-fluoranylphenoxy)methyl]-N-(isoquinolin-5-ylmethyl)-N-methyl-1H-pyrazole-3-carboxamide Openeye Name: 5-[(2-fluorophenoxy)methyl]-N-(5-isoquinolylmethyl)-N-methyl-1H-pyrazole-3-carboxamide CAS Name: 5-[(2-fluorophenoxy)methyl]-N-(5-isoquinolinylmethyl)-N-methyl-1H-pyrazole-3-carboxamide IUPAC Name: 5-[(2-fluorophenoxy)methyl]-N-(isoquinolin-5-ylmethyl)-N-methyl-1H-pyrazole-3-carboxamide Traditional Name: 5-[(2-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=C4F

Isomeric SMILES

CN(CC1=CC=CC2=C1C=CN=C2)C(=O)C3=NNC(=C3)COC4=CC=CC=C4F

InChI

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