ethyl 1-(2-chloranyl-2-phenyl-ethyl)-4-(propylamino)pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: ethyl 1-(2-chloranyl-2-phenyl-ethyl)-4-(propylamino)pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 1-(2-chloro-2-phenyl-ethyl)-4-(propylamino)pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-(2-chloro-2-phenylethyl)-4-(propylamino)-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-chloro-2-phenylethyl)-4-(propylamino)pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-(2-chloro-2-phenyl-ethyl)-4-(propylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C20H23ClN4O2 MolecularWeight: 386.87522

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C2C=NN(C2=NC=C1C(=O)OCC)CC(C3=CC=CC=C3)Cl

Isomeric SMILES

CCCNC1=C2C=NN(C2=NC=C1C(=O)OCC)CC(C3=CC=CC=C3)Cl

InChI

InChI=1S/C20H23ClN4O2/c1-3-10-22-18-15-12-24-25(13-17(21)14-8-6-5-7-9-14)19(15)23-11-16(18)20(26)27-4-2/h5-9,11-12,17H,3-4,10,13H2,1-2H3,(H,22,23)