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

Systemtic Name: ethyl 4-(cyclohexylamino)-1-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 4-(cyclohexylamino)-1-[(E)-styryl]pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 4-(cyclohexylamino)-1-[(E)-2-phenylethenyl]-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(cyclohexylamino)-1-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 4-(cyclohexylamino)-1-[(E)-styryl]pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C23H26N4O2 MolecularWeight: 390.47814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1NC3CCCCC3)C=NN2C=CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1NC3CCCCC3)C=NN2/C=C/C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O2/c1-2-29-23(28)20-15-24-22-19(21(20)26-18-11-7-4-8-12-18)16-25-27(22)14-13-17-9-5-3-6-10-17/h3,5-6,9-10,13-16,18H,2,4,7-8,11-12H2,1H3,(H,24,26)/b14-13+