[2-oxidanylidene-2-[(4-phenylazanylphenyl)-propan-2-yl-amino]ethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-phenylazanylphenyl)-propan-2-yl-amino]ethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [2-(4-anilino-N-isopropyl-anilino)-2-oxo-ethyl] 1-isopropylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-propan-2-yl-5-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-anilino-N-propan-2-ylanilino)-2-oxoethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-isopropylpyrazolo[3,4-b]pyridine-5-carboxylic acid [2-(4-anilino-N-isopropyl-anilino)-2-keto-ethyl] ester Formula: C27H29N5O3 MolecularWeight: 471.55086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)OCC(=O)N(C3=CC=C(C=C3)NC4=CC=CC=C4)C(C)C

Isomeric SMILES

CC(C)N1C2=NC=C(C=C2C=N1)C(=O)OCC(=O)N(C3=CC=C(C=C3)NC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C27H29N5O3/c1-18(2)31(24-12-10-23(11-13-24)30-22-8-6-5-7-9-22)25(33)17-35-27(34)21-14-20-16-29-32(19(3)4)26(20)28-15-21/h5-16,18-19,30H,17H2,1-4H3