tert-butyl 4-azanyl-3-(1,3-benzodioxol-5-yl)-5-(2-methylpropyl)pyrazole-1-carboxylate

Systemtic Name: tert-butyl 4-azanyl-3-(1,3-benzodioxol-5-yl)-5-(2-methylpropyl)pyrazole-1-carboxylate Openeye Name: tert-butyl 4-amino-3-(1,3-benzodioxol-5-yl)-5-isobutyl-pyrazole-1-carboxylate CAS Name: 4-amino-3-(1,3-benzodioxol-5-yl)-5-(2-methylpropyl)-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-amino-3-(1,3-benzodioxol-5-yl)-5-(2-methylpropyl)pyrazole-1-carboxylate Traditional Name: 4-amino-3-(1,3-benzodioxol-5-yl)-5-isobutyl-pyrazole-1-carboxylic acid tert-butyl ester Formula: C19H25N3O4 MolecularWeight: 359.4195

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C(=NN1C(=O)OC(C)(C)C)C2=CC3=C(C=C2)OCO3)N

Isomeric SMILES

CC(C)CC1=C(C(=NN1C(=O)OC(C)(C)C)C2=CC3=C(C=C2)OCO3)N

InChI

InChI=1S/C19H25N3O4/c1-11(2)8-13-16(20)17(21-22(13)18(23)26-19(3,4)5)12-6-7-14-15(9-12)25-10-24-14/h6-7,9,11H,8,10,20H2,1-5H3