[2-[(2-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: [2-[(2-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: [2-(2-tert-butylanilino)-2-oxo-ethyl] 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid [2-(2-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-tert-butylanilino)-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid [2-(2-tert-butylanilino)-2-keto-ethyl] ester Formula: C24H26ClN3O3 MolecularWeight: 439.93454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)NC2=CC=CC=C2C(C)(C)C)Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)NC2=CC=CC=C2C(C)(C)C)Cl)CC3=CC=CC=C3

InChI

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