tert-butyl 4-azanyl-3-[2-(4-methoxyphenyl)ethyl]-5-propyl-pyrazole-1-carboxylate

Systemtic Name: tert-butyl 4-azanyl-3-[2-(4-methoxyphenyl)ethyl]-5-propyl-pyrazole-1-carboxylate Openeye Name: tert-butyl 4-amino-3-[2-(4-methoxyphenyl)ethyl]-5-propyl-pyrazole-1-carboxylate CAS Name: 4-amino-3-[2-(4-methoxyphenyl)ethyl]-5-propyl-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-amino-3-[2-(4-methoxyphenyl)ethyl]-5-propylpyrazole-1-carboxylate Traditional Name: 4-amino-3-[2-(4-methoxyphenyl)ethyl]-5-propyl-pyrazole-1-carboxylic acid tert-butyl ester Formula: C20H29N3O3 MolecularWeight: 359.46256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=NN1C(=O)OC(C)(C)C)CCC2=CC=C(C=C2)OC)N

Isomeric SMILES

CCCC1=C(C(=NN1C(=O)OC(C)(C)C)CCC2=CC=C(C=C2)OC)N

InChI

InChI=1S/C20H29N3O3/c1-6-7-17-18(21)16(22-23(17)19(24)26-20(2,3)4)13-10-14-8-11-15(25-5)12-9-14/h8-9,11-12H,6-7,10,13,21H2,1-5H3