ethyl 4-chloranyl-3-phenyl-1-propyl-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: ethyl 4-chloranyl-3-phenyl-1-propyl-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 4-chloro-3-phenyl-1-propyl-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 4-chloro-3-phenyl-1-propyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-chloro-3-phenyl-1-propylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 4-chloro-3-phenyl-1-propyl-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C18H18ClN3O2 MolecularWeight: 343.80742

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC=C(C(=C2C(=N1)C3=CC=CC=C3)Cl)C(=O)OCC

Isomeric SMILES

CCCN1C2=NC=C(C(=C2C(=N1)C3=CC=CC=C3)Cl)C(=O)OCC

InChI

InChI=1S/C18H18ClN3O2/c1-3-10-22-17-14(16(21-22)12-8-6-5-7-9-12)15(19)13(11-20-17)18(23)24-4-2/h5-9,11H,3-4,10H2,1-2H3