3-[[[4-(3-cyano-5-fluoranyl-phenoxy)-5-methyl-1H-pyrazol-3-yl]methylamino]methyl]benzamide

Systemtic Name: 3-[[[4-(3-cyano-5-fluoranyl-phenoxy)-5-methyl-1H-pyrazol-3-yl]methylamino]methyl]benzamide Openeye Name: 3-[[[4-(3-cyano-5-fluoro-phenoxy)-5-methyl-1H-pyrazol-3-yl]methylamino]methyl]benzamide CAS Name: 3-[[[4-(3-cyano-5-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]methylamino]methyl]benzamide IUPAC Name: 3-[[[4-(3-cyano-5-fluorophenoxy)-5-methyl-1H-pyrazol-3-yl]methylamino]methyl]benzamide Traditional Name: 3-[[[4-(3-cyano-5-fluoro-phenoxy)-5-methyl-1H-pyrazol-3-yl]methylamino]methyl]benzamide Formula: C20H18FN5O2 MolecularWeight: 379.387623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)CNCC2=CC=CC(=C2)C(=O)N)OC3=CC(=CC(=C3)C#N)F

Isomeric SMILES

CC1=C(C(=NN1)CNCC2=CC=CC(=C2)C(=O)N)OC3=CC(=CC(=C3)C#N)F

InChI

InChI=1S/C20H18FN5O2/c1-12-19(28-17-7-14(9-22)6-16(21)8-17)18(26-25-12)11-24-10-13-3-2-4-15(5-13)20(23)27/h2-8,24H,10-11H2,1H3,(H2,23,27)(H,25,26)