tert-butyl 5-cyclopropyl-3-(2,2-diphenylethanoylamino)pyrazole-1-carboxylate

Systemtic Name: tert-butyl 5-cyclopropyl-3-(2,2-diphenylethanoylamino)pyrazole-1-carboxylate Openeye Name: tert-butyl 5-cyclopropyl-3-[(2,2-diphenylacetyl)amino]pyrazole-1-carboxylate CAS Name: 5-cyclopropyl-3-[(1-oxo-2,2-diphenylethyl)amino]-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-cyclopropyl-3-[(2,2-diphenylacetyl)amino]pyrazole-1-carboxylate Traditional Name: 5-cyclopropyl-3-[(2,2-diphenylacetyl)amino]pyrazole-1-carboxylic acid tert-butyl ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=CC(=N1)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4CC4

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=CC(=N1)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C25H27N3O3/c1-25(2,3)31-24(30)28-20(17-14-15-17)16-21(27-28)26-23(29)22(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,16-17,22H,14-15H2,1-3H3,(H,26,27,29)