ethyl 4-(azepan-1-yl)-1-(2-chloranyl-2-phenyl-ethyl)pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: ethyl 4-(azepan-1-yl)-1-(2-chloranyl-2-phenyl-ethyl)pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 4-(azepan-1-yl)-1-(2-chloro-2-phenyl-ethyl)pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 4-(1-azepanyl)-1-(2-chloro-2-phenylethyl)-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(azepan-1-yl)-1-(2-chloro-2-phenylethyl)pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 4-(azepan-1-yl)-1-(2-chloro-2-phenyl-ethyl)pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C23H27ClN4O2 MolecularWeight: 426.93908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1N3CCCCCC3)C=NN2CC(C4=CC=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1N3CCCCCC3)C=NN2CC(C4=CC=CC=C4)Cl

InChI

InChI=1S/C23H27ClN4O2/c1-2-30-23(29)19-14-25-22-18(21(19)27-12-8-3-4-9-13-27)15-26-28(22)16-20(24)17-10-6-5-7-11-17/h5-7,10-11,14-15,20H,2-4,8-9,12-13,16H2,1H3