methyl (2S)-1-[4-[4-(pyridin-3-ylcarbonylamino)pyrazol-1-yl]phenyl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[4-[4-(pyridin-3-ylcarbonylamino)pyrazol-1-yl]phenyl]carbonylpyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[4-[4-(pyridine-3-carbonylamino)pyrazol-1-yl]benzoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[oxo-[4-[4-[[oxo(3-pyridinyl)methyl]amino]-1-pyrazolyl]phenyl]methyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[4-[4-(pyridine-3-carbonylamino)pyrazol-1-yl]benzoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[4-(4-nicotinamidopyrazol-1-yl)benzoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)C2=CC=C(C=C2)N3C=C(C=N3)NC(=O)C4=CN=CC=C4

Isomeric SMILES

COC(=O)[C@@H]1CCCN1C(=O)C2=CC=C(C=C2)N3C=C(C=N3)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H21N5O4/c1-31-22(30)19-5-3-11-26(19)21(29)15-6-8-18(9-7-15)27-14-17(13-24-27)25-20(28)16-4-2-10-23-12-16/h2,4,6-10,12-14,19H,3,5,11H2,1H3,(H,25,28)/t19-/m0/s1