methyl (3S)-3-(4-bromophenyl)-3-[(6-pyrazol-1-ylpyridin-3-yl)carbonylamino]propanoate

Systemtic Name: methyl (3S)-3-(4-bromophenyl)-3-[(6-pyrazol-1-ylpyridin-3-yl)carbonylamino]propanoate Openeye Name: methyl (3S)-3-(4-bromophenyl)-3-[(6-pyrazol-1-ylpyridine-3-carbonyl)amino]propanoate CAS Name: (3S)-3-(4-bromophenyl)-3-[[oxo-[6-(1-pyrazolyl)-3-pyridinyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (3S)-3-(4-bromophenyl)-3-[(6-pyrazol-1-ylpyridine-3-carbonyl)amino]propanoate Traditional Name: (3S)-3-(4-bromophenyl)-3-[(6-pyrazol-1-ylnicotinoyl)amino]propionic acid methyl ester Formula: C19H17BrN4O3 MolecularWeight: 429.26728

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=C(C=C1)Br)NC(=O)C2=CN=C(C=C2)N3C=CC=N3

Isomeric SMILES

COC(=O)C[C@@H](C1=CC=C(C=C1)Br)NC(=O)C2=CN=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C19H17BrN4O3/c1-27-18(25)11-16(13-3-6-15(20)7-4-13)23-19(26)14-5-8-17(21-12-14)24-10-2-9-22-24/h2-10,12,16H,11H2,1H3,(H,23,26)/t16-/m0/s1