tert-butyl (2S)-2-[methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[methyl-[[1-(phenylmethyl)pyrazol-4-yl]methyl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(1-benzylpyrazol-4-yl)methyl-methyl-carbamoyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[methyl-[[1-(phenylmethyl)-4-pyrazolyl]methyl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(1-benzylpyrazol-4-yl)methyl-methylcarbamoyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(1-benzylpyrazol-4-yl)methyl-methyl-carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H30N4O3 MolecularWeight: 398.4986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)N(C)CC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N(C)CC2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H30N4O3/c1-22(2,3)29-21(28)26-12-8-11-19(26)20(27)24(4)14-18-13-23-25(16-18)15-17-9-6-5-7-10-17/h5-7,9-10,13,16,19H,8,11-12,14-15H2,1-4H3/t19-/m0/s1