[2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[di(propan-2-yl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(diisopropylamino)-2-oxo-ethyl] 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-chlorophenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-[di(propan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[di(propan-2-yl)amino]-2-oxoethyl] 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-chlorophenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-(diisopropylamino)-2-keto-ethyl] ester Formula: C24H26ClN3O3 MolecularWeight: 439.93454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)COC(=O)C1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(C)N(C(C)C)C(=O)COC(=O)C1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C24H26ClN3O3/c1-16(2)28(17(3)4)22(29)15-31-24(30)21-14-27(20-8-6-5-7-9-20)26-23(21)18-10-12-19(25)13-11-18/h5-14,16-17H,15H2,1-4H3