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

Systemtic Name: ethyl 4-(butylamino)-1-(2-chloranyl-2-phenyl-ethyl)pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 4-(butylamino)-1-(2-chloro-2-phenyl-ethyl)pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 4-(butylamino)-1-(2-chloro-2-phenylethyl)-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(butylamino)-1-(2-chloro-2-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 4-(butylamino)-1-(2-chloro-2-phenyl-ethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C21H25ClN4O2 MolecularWeight: 400.9018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C2C=NN(C2=NC=C1C(=O)OCC)CC(C3=CC=CC=C3)Cl

Isomeric SMILES

CCCCNC1=C2C=NN(C2=NC=C1C(=O)OCC)CC(C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H25ClN4O2/c1-3-5-11-23-19-16-13-25-26(14-18(22)15-9-7-6-8-10-15)20(16)24-12-17(19)21(27)28-4-2/h6-10,12-13,18H,3-5,11,14H2,1-2H3,(H,23,24)