tert-butyl 5-(aminomethyl)-3-(4-fluorophenyl)-4-pyridin-4-yl-pyrazole-1-carboxylate

Systemtic Name: tert-butyl 5-(aminomethyl)-3-(4-fluorophenyl)-4-pyridin-4-yl-pyrazole-1-carboxylate Openeye Name: tert-butyl 5-(aminomethyl)-3-(4-fluorophenyl)-4-(4-pyridyl)pyrazole-1-carboxylate CAS Name: 5-(aminomethyl)-3-(4-fluorophenyl)-4-pyridin-4-yl-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(aminomethyl)-3-(4-fluorophenyl)-4-pyridin-4-ylpyrazole-1-carboxylate Traditional Name: 5-(aminomethyl)-3-(4-fluorophenyl)-4-(4-pyridyl)pyrazole-1-carboxylic acid tert-butyl ester Formula: C20H21FN4O2 MolecularWeight: 368.404743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=C(C(=N1)C2=CC=C(C=C2)F)C3=CC=NC=C3)CN

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=C(C(=N1)C2=CC=C(C=C2)F)C3=CC=NC=C3)CN

InChI

InChI=1S/C20H21FN4O2/c1-20(2,3)27-19(26)25-16(12-22)17(13-8-10-23-11-9-13)18(24-25)14-4-6-15(21)7-5-14/h4-11H,12,22H2,1-3H3