[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxylate

Systemtic Name: [2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxylate Openeye Name: [2-(2-chloro-4,6-dimethyl-anilino)-2-oxo-ethyl] 5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxylate CAS Name: 5-propan-2-yl-1-(2-pyridinyl)-4-pyrazolecarboxylic acid [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate Traditional Name: 5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxylic acid [2-(2-chloro-4,6-dimethyl-anilino)-2-keto-ethyl] ester Formula: C22H23ClN4O3 MolecularWeight: 426.89602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)COC(=O)C2=C(N(N=C2)C3=CC=CC=N3)C(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)COC(=O)C2=C(N(N=C2)C3=CC=CC=N3)C(C)C)C

InChI

InChI=1S/C22H23ClN4O3/c1-13(2)21-16(11-25-27(21)18-7-5-6-8-24-18)22(29)30-12-19(28)26-20-15(4)9-14(3)10-17(20)23/h5-11,13H,12H2,1-4H3,(H,26,28)