tert-butyl 2-azanyl-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butanoate

Systemtic Name: tert-butyl 2-azanyl-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butanoate Openeye Name: tert-butyl 2-amino-4-[3-(4-fluorophenyl)-4-(4-pyridyl)-1H-pyrazol-5-yl]butanoate CAS Name: 2-amino-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-4-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]butanoate Traditional Name: 2-amino-4-[3-(4-fluorophenyl)-4-(4-pyridyl)-1H-pyrazol-5-yl]butyric acid tert-butyl ester Formula: C22H25FN4O2 MolecularWeight: 396.457903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CCC1=C(C(=NN1)C2=CC=C(C=C2)F)C3=CC=NC=C3)N

Isomeric SMILES

CC(C)(C)OC(=O)C(CCC1=C(C(=NN1)C2=CC=C(C=C2)F)C3=CC=NC=C3)N

InChI

InChI=1S/C22H25FN4O2/c1-22(2,3)29-21(28)17(24)8-9-18-19(14-10-12-25-13-11-14)20(27-26-18)15-4-6-16(23)7-5-15/h4-7,10-13,17H,8-9,24H2,1-3H3,(H,26,27)