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

Systemtic Name: ethyl 4-(butylamino)-1-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 4-(butylamino)-1-[(E)-styryl]pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 4-(butylamino)-1-[(E)-2-phenylethenyl]-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(butylamino)-1-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 4-(butylamino)-1-[(E)-styryl]pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C2C=NN(C2=NC=C1C(=O)OCC)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2/c1-3-5-12-22-19-17-15-24-25(13-11-16-9-7-6-8-10-16)20(17)23-14-18(19)21(26)27-4-2/h6-11,13-15H,3-5,12H2,1-2H3,(H,22,23)/b13-11+