[2-tert-butyl-4-(pyridazin-4-ylamino)phenyl] 3,3-dimethylbutanoate

Systemtic Name: [2-tert-butyl-4-(pyridazin-4-ylamino)phenyl] 3,3-dimethylbutanoate Openeye Name: [2-tert-butyl-4-(pyridazin-4-ylamino)phenyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [2-tert-butyl-4-(4-pyridazinylamino)phenyl] ester IUPAC Name: [2-tert-butyl-4-(pyridazin-4-ylamino)phenyl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [2-tert-butyl-4-(pyridazin-4-ylamino)phenyl] ester Formula: C20H27N3O2 MolecularWeight: 341.44728

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OC1=C(C=C(C=C1)NC2=CN=NC=C2)C(C)(C)C

Isomeric SMILES

CC(C)(C)CC(=O)OC1=C(C=C(C=C1)NC2=CN=NC=C2)C(C)(C)C

InChI

InChI=1S/C20H27N3O2/c1-19(2,3)12-18(24)25-17-8-7-14(11-16(17)20(4,5)6)23-15-9-10-21-22-13-15/h7-11,13H,12H2,1-6H3,(H,21,23)