methyl (2S,4S,5R)-5-(3-chlorophenyl)-1-methyl-4-(3-pyrazol-1-ylpropylcarbamoyl)pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S,4S,5R)-5-(3-chlorophenyl)-1-methyl-4-(3-pyrazol-1-ylpropylcarbamoyl)pyrrolidine-2-carboxylate Openeye Name: methyl (2S,4S,5R)-5-(3-chlorophenyl)-1-methyl-4-(3-pyrazol-1-ylpropylcarbamoyl)pyrrolidine-2-carboxylate CAS Name: (2S,4S,5R)-5-(3-chlorophenyl)-1-methyl-4-[oxo-[3-(1-pyrazolyl)propylamino]methyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S,4S,5R)-5-(3-chlorophenyl)-1-methyl-4-(3-pyrazol-1-ylpropylcarbamoyl)pyrrolidine-2-carboxylate Traditional Name: (2S,4S,5R)-5-(3-chlorophenyl)-1-methyl-4-(3-pyrazol-1-ylpropylcarbamoyl)pyrrolidine-2-carboxylic acid methyl ester Formula: C20H25ClN4O3 MolecularWeight: 404.8905

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(CC(C1C2=CC(=CC=C2)Cl)C(=O)NCCCN3C=CC=N3)C(=O)OC

Isomeric SMILES

CN1[C@@H](C[C@@H]([C@@H]1C2=CC(=CC=C2)Cl)C(=O)NCCCN3C=CC=N3)C(=O)OC

InChI

InChI=1S/C20H25ClN4O3/c1-24-17(20(27)28-2)13-16(18(24)14-6-3-7-15(21)12-14)19(26)22-8-4-10-25-11-5-9-23-25/h3,5-7,9,11-12,16-18H,4,8,10,13H2,1-2H3,(H,22,26)/t16-,17-,18-/m0/s1