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

Systemtic Name: ethyl 4-(butylamino)-1-(2-chloranyl-3-phenoxy-propyl)pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 4-(butylamino)-1-(2-chloro-3-phenoxy-propyl)pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 4-(butylamino)-1-(2-chloro-3-phenoxypropyl)-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(butylamino)-1-(2-chloro-3-phenoxypropyl)pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 4-(butylamino)-1-(2-chloro-3-phenoxy-propyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C22H27ClN4O3 MolecularWeight: 430.92778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C2C=NN(C2=NC=C1C(=O)OCC)CC(COC3=CC=CC=C3)Cl

Isomeric SMILES

CCCCNC1=C2C=NN(C2=NC=C1C(=O)OCC)CC(COC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H27ClN4O3/c1-3-5-11-24-20-18-13-26-27(21(18)25-12-19(20)22(28)29-4-2)14-16(23)15-30-17-9-7-6-8-10-17/h6-10,12-13,16H,3-5,11,14-15H2,1-2H3,(H,24,25)