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

Systemtic Name: tert-butyl 4-azanyl-3-(3,4-dimethoxyphenyl)-5-(oxan-4-yl)pyrazole-1-carboxylate Openeye Name: tert-butyl 4-amino-3-(3,4-dimethoxyphenyl)-5-tetrahydropyran-4-yl-pyrazole-1-carboxylate CAS Name: 4-amino-3-(3,4-dimethoxyphenyl)-5-(4-oxanyl)-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-amino-3-(3,4-dimethoxyphenyl)-5-(oxan-4-yl)pyrazole-1-carboxylate Traditional Name: 4-amino-3-(3,4-dimethoxyphenyl)-5-tetrahydropyran-4-yl-pyrazole-1-carboxylic acid tert-butyl ester Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(=C(C(=N1)C2=CC(=C(C=C2)OC)OC)N)C3CCOCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1C(=C(C(=N1)C2=CC(=C(C=C2)OC)OC)N)C3CCOCC3

InChI

InChI=1S/C21H29N3O5/c1-21(2,3)29-20(25)24-19(13-8-10-28-11-9-13)17(22)18(23-24)14-6-7-15(26-4)16(12-14)27-5/h6-7,12-13H,8-11,22H2,1-5H3