[2-tert-butyl-4-[(2,5-diphenylpyrazol-3-yl)amino]phenyl] 3,3-dimethylbutanoate

Systemtic Name: [2-tert-butyl-4-[(2,5-diphenylpyrazol-3-yl)amino]phenyl] 3,3-dimethylbutanoate Openeye Name: [2-tert-butyl-4-[(2,5-diphenylpyrazol-3-yl)amino]phenyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [2-tert-butyl-4-[(2,5-diphenyl-3-pyrazolyl)amino]phenyl] ester IUPAC Name: [2-tert-butyl-4-[(2,5-diphenylpyrazol-3-yl)amino]phenyl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [2-tert-butyl-4-[(2,5-diphenylpyrazol-3-yl)amino]phenyl] ester Formula: C31H35N3O2 MolecularWeight: 481.6285

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OC1=C(C=C(C=C1)NC2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)C(C)(C)C

Isomeric SMILES

CC(C)(C)CC(=O)OC1=C(C=C(C=C1)NC2=CC(=NN2C3=CC=CC=C3)C4=CC=CC=C4)C(C)(C)C

InChI

InChI=1S/C31H35N3O2/c1-30(2,3)21-29(35)36-27-18-17-23(19-25(27)31(4,5)6)32-28-20-26(22-13-9-7-10-14-22)33-34(28)24-15-11-8-12-16-24/h7-20,32H,21H2,1-6H3