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

Systemtic Name: tert-butyl 4-azanyl-3-(3-methoxyphenyl)-5-(oxan-4-yl)pyrazole-1-carboxylate Openeye Name: tert-butyl 4-amino-3-(3-methoxyphenyl)-5-tetrahydropyran-4-yl-pyrazole-1-carboxylate CAS Name: 4-amino-3-(3-methoxyphenyl)-5-(4-oxanyl)-1-pyrazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-amino-3-(3-methoxyphenyl)-5-(oxan-4-yl)pyrazole-1-carboxylate Traditional Name: 4-amino-3-(3-methoxyphenyl)-5-tetrahydropyran-4-yl-pyrazole-1-carboxylic acid tert-butyl ester Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O4/c1-20(2,3)27-19(24)23-18(13-8-10-26-11-9-13)16(21)17(22-23)14-6-5-7-15(12-14)25-4/h5-7,12-13H,8-11,21H2,1-4H3