tert-butyl 2-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[oxo-[[2-(1-pyrazolylmethyl)phenyl]methylamino]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-(pyrazol-1-ylmethyl)phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[2-(pyrazol-1-ylmethyl)benzyl]carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)NCC2=CC=CC=C2CN3C=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(=O)NCC2=CC=CC=C2CN3C=CC=N3

InChI

InChI=1S/C21H28N4O3/c1-21(2,3)28-20(27)25-13-6-10-18(25)19(26)22-14-16-8-4-5-9-17(16)15-24-12-7-11-23-24/h4-5,7-9,11-12,18H,6,10,13-15H2,1-3H3,(H,22,26)