tert-butyl 4-azanyl-3-phenyl-5-propyl-pyrazole-1-carboxylate

Systemtic Name: tert-butyl 4-azanyl-3-phenyl-5-propyl-pyrazole-1-carboxylate Openeye Name: tert-butyl 4-amino-3-phenyl-5-propyl-pyrazole-1-carboxylate CAS Name: 4-amino-3-phenyl-5-propyl-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-amino-3-phenyl-5-propylpyrazole-1-carboxylate Traditional Name: 4-amino-3-phenyl-5-propyl-pyrazole-1-carboxylic acid tert-butyl ester Formula: C17H23N3O2 MolecularWeight: 301.38342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C(=O)OC(C)(C)C)C2=CC=CC=C2)N

Isomeric SMILES

CCCC1=C(C(=NN1C(=O)OC(C)(C)C)C2=CC=CC=C2)N

InChI

InChI=1S/C17H23N3O2/c1-5-9-13-14(18)15(12-10-7-6-8-11-12)19-20(13)16(21)22-17(2,3)4/h6-8,10-11H,5,9,18H2,1-4H3