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

Systemtic Name: 2-[3-(aminomethyl)phenyl]-5-ethyl-N-[2-fluoranyl-4-(2-methylsulfonylimidazol-1-yl)phenyl]pyrazole-3-carboxamide Openeye Name: 2-[3-(aminomethyl)phenyl]-5-ethyl-N-[2-fluoro-4-(2-methylsulfonylimidazol-1-yl)phenyl]pyrazole-3-carboxamide CAS Name: 2-[3-(aminomethyl)phenyl]-5-ethyl-N-[2-fluoro-4-(2-methylsulfonyl-1-imidazolyl)phenyl]-3-pyrazolecarboxamide IUPAC Name: 2-[3-(aminomethyl)phenyl]-5-ethyl-N-[2-fluoro-4-(2-methylsulfonylimidazol-1-yl)phenyl]pyrazole-3-carboxamide Traditional Name: 2-[3-(aminomethyl)phenyl]-5-ethyl-N-[2-fluoro-4-(2-mesylimidazol-1-yl)phenyl]pyrazole-3-carboxamide Formula: C23H23FN6O3S MolecularWeight: 482.530523

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)C(=O)NC2=C(C=C(C=C2)N3C=CN=C3S(=O)(=O)C)F)C4=CC=CC(=C4)CN

Isomeric SMILES

CCC1=NN(C(=C1)C(=O)NC2=C(C=C(C=C2)N3C=CN=C3S(=O)(=O)C)F)C4=CC=CC(=C4)CN

InChI

InChI=1S/C23H23FN6O3S/c1-3-16-12-21(30(28-16)18-6-4-5-15(11-18)14-25)22(31)27-20-8-7-17(13-19(20)24)29-10-9-26-23(29)34(2,32)33/h4-13H,3,14,25H2,1-2H3,(H,27,31)