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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C2=CC(=C(C=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C#N)F

Isomeric SMILES

CN1C=CN=C1C2=CC(=C(C=C2)NC(=O)C3=CC(=NN3C4=CC=CC(=C4)CN)C#N)F

InChI

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