tert-butyl 5-(1,3-benzodioxol-5-yl)-3-phenyl-pyrazole-1-carboxylate

Systemtic Name: tert-butyl 5-(1,3-benzodioxol-5-yl)-3-phenyl-pyrazole-1-carboxylate Openeye Name: tert-butyl 5-(1,3-benzodioxol-5-yl)-3-phenyl-pyrazole-1-carboxylate CAS Name: 5-(1,3-benzodioxol-5-yl)-3-phenyl-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(1,3-benzodioxol-5-yl)-3-phenylpyrazole-1-carboxylate Traditional Name: 5-(1,3-benzodioxol-5-yl)-3-phenyl-pyrazole-1-carboxylic acid tert-butyl ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=CC(=N1)C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=CC(=N1)C2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N2O4/c1-21(2,3)27-20(24)23-17(12-16(22-23)14-7-5-4-6-8-14)15-9-10-18-19(11-15)26-13-25-18/h4-12H,13H2,1-3H3