[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 2,4,6-trimethylbenzoate

Systemtic Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl] 2,4,6-trimethylbenzoate Openeye Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl] ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)OCC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)OCC(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C)C

InChI

InChI=1S/C23H25N3O3/c1-14-11-15(2)21(16(3)12-14)23(28)29-13-20(27)24-22-17(4)25-26(18(22)5)19-9-7-6-8-10-19/h6-12H,13H2,1-5H3,(H,24,27)