tert-butyl 4-azanyl-3-(3,4-dimethoxyphenyl)-5-ethyl-pyrazole-1-carboxylate

Systemtic Name: tert-butyl 4-azanyl-3-(3,4-dimethoxyphenyl)-5-ethyl-pyrazole-1-carboxylate Openeye Name: tert-butyl 4-amino-3-(3,4-dimethoxyphenyl)-5-ethyl-pyrazole-1-carboxylate CAS Name: 4-amino-3-(3,4-dimethoxyphenyl)-5-ethyl-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-amino-3-(3,4-dimethoxyphenyl)-5-ethylpyrazole-1-carboxylate Traditional Name: 4-amino-3-(3,4-dimethoxyphenyl)-5-ethyl-pyrazole-1-carboxylic acid tert-butyl ester Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NN1C(=O)OC(C)(C)C)C2=CC(=C(C=C2)OC)OC)N

Isomeric SMILES

CCC1=C(C(=NN1C(=O)OC(C)(C)C)C2=CC(=C(C=C2)OC)OC)N

InChI

InChI=1S/C18H25N3O4/c1-7-12-15(19)16(20-21(12)17(22)25-18(2,3)4)11-8-9-13(23-5)14(10-11)24-6/h8-10H,7,19H2,1-6H3