[2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 1-phenylpyrazole-4-carboxylate

Systemtic Name: [2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl] 1-phenylpyrazole-4-carboxylate Openeye Name: [2-(2,6-diisopropylanilino)-2-oxo-ethyl] 1-phenylpyrazole-4-carboxylate CAS Name: 1-phenyl-4-pyrazolecarboxylic acid [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenylpyrazole-4-carboxylic acid [2-(2,6-diisopropylanilino)-2-keto-ethyl] ester Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)COC(=O)C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H27N3O3/c1-16(2)20-11-8-12-21(17(3)4)23(20)26-22(28)15-30-24(29)18-13-25-27(14-18)19-9-6-5-7-10-19/h5-14,16-17H,15H2,1-4H3,(H,26,28)