[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-methylbenzoate

Systemtic Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl] 4-methylbenzoate Openeye Name: [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-[(5-tert-butyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-tert-butyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C23H25N3O3 MolecularWeight: 391.4629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C(C)(C)C

InChI

InChI=1S/C23H25N3O3/c1-16-10-12-17(13-11-16)22(28)29-15-21(27)24-20-14-19(23(2,3)4)25-26(20)18-8-6-5-7-9-18/h5-14H,15H2,1-4H3,(H,24,27)