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

Systemtic Name: ethyl 4-(butylamino)-3-phenyl-1-propyl-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 4-(butylamino)-3-phenyl-1-propyl-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 4-(butylamino)-3-phenyl-1-propyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(butylamino)-3-phenyl-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 4-(butylamino)-3-phenyl-1-propyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O2/c1-4-7-13-23-20-17(22(27)28-6-3)15-24-21-18(20)19(25-26(21)14-5-2)16-11-9-8-10-12-16/h8-12,15H,4-7,13-14H2,1-3H3,(H,23,24)