2-[3-(aminomethyl)phenyl]-5-cyano-N-[2-fluoranyl-4-(2-methylimidazol-1-yl)phenyl]pyrazole-3-carboxamide

Systemtic Name: 2-[3-(aminomethyl)phenyl]-5-cyano-N-[2-fluoranyl-4-(2-methylimidazol-1-yl)phenyl]pyrazole-3-carboxamide Openeye Name: 2-[3-(aminomethyl)phenyl]-5-cyano-N-[2-fluoro-4-(2-methylimidazol-1-yl)phenyl]pyrazole-3-carboxamide CAS Name: 2-[3-(aminomethyl)phenyl]-5-cyano-N-[2-fluoro-4-(2-methyl-1-imidazolyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 2-[3-(aminomethyl)phenyl]-5-cyano-N-[2-fluoro-4-(2-methylimidazol-1-yl)phenyl]pyrazole-3-carboxamide Traditional Name: 2-[3-(aminomethyl)phenyl]-5-cyano-N-[2-fluoro-4-(2-methylimidazol-1-yl)phenyl]pyrazole-3-carboxamide Formula: C22H18FN7O MolecularWeight: 415.423023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=CC(=C(C=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C#N)F

Isomeric SMILES

CC1=NC=CN1C2=CC(=C(C=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C#N)F

InChI

InChI=1S/C22H18FN7O/c1-14-26-7-8-29(14)17-5-6-20(19(23)11-17)27-22(31)21-10-16(13-25)28-30(21)18-4-2-3-15(9-18)12-24/h2-11H,12,24H2,1H3,(H,27,31)