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

Systemtic Name: ethyl 1-(2-chloranyl-2-phenyl-ethyl)-4-(2-ethoxyethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 1-(2-chloro-2-phenyl-ethyl)-4-(2-ethoxyethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-(2-chloro-2-phenylethyl)-4-(2-ethoxyethylamino)-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-chloro-2-phenylethyl)-4-(2-ethoxyethylamino)pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-(2-chloro-2-phenyl-ethyl)-4-(2-ethoxyethylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C21H25ClN4O3 MolecularWeight: 416.9012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCNC1=C2C=NN(C2=NC=C1C(=O)OCC)CC(C3=CC=CC=C3)Cl

Isomeric SMILES

CCOCCNC1=C2C=NN(C2=NC=C1C(=O)OCC)CC(C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H25ClN4O3/c1-3-28-11-10-23-19-16-13-25-26(14-18(22)15-8-6-5-7-9-15)20(16)24-12-17(19)21(27)29-4-2/h5-9,12-13,18H,3-4,10-11,14H2,1-2H3,(H,23,24)