[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [2-(3-chloro-4-methyl-anilino)-2-oxo-1-phenyl-ethyl] 1-isopropylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-propan-2-yl-5-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-isopropylpyrazolo[3,4-b]pyridine-5-carboxylic acid [2-(3-chloro-4-methyl-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C25H23ClN4O3 MolecularWeight: 462.92812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CN=C4C(=C3)C=NN4C(C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CN=C4C(=C3)C=NN4C(C)C)Cl

InChI

InChI=1S/C25H23ClN4O3/c1-15(2)30-23-18(14-28-30)11-19(13-27-23)25(32)33-22(17-7-5-4-6-8-17)24(31)29-20-10-9-16(3)21(26)12-20/h4-15,22H,1-3H3,(H,29,31)