ethyl 1-(2-chloranyl-2-phenyl-ethyl)-4-(cyclohexylamino)-6-oxidanylidene-2H-pyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: ethyl 1-(2-chloranyl-2-phenyl-ethyl)-4-(cyclohexylamino)-6-oxidanylidene-2H-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 1-(2-chloro-2-phenyl-ethyl)-4-(cyclohexylamino)-6-oxo-2H-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-(2-chloro-2-phenylethyl)-4-(cyclohexylamino)-6-oxo-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-chloro-2-phenylethyl)-4-(cyclohexylamino)-6-oxo-2H-pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-(2-chloro-2-phenyl-ethyl)-4-(cyclohexylamino)-6-keto-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C23H27ClN4O3 MolecularWeight: 442.93848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CNN(C2=NC1=O)CC(C3=CC=CC=C3)Cl)NC4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(C2=CNN(C2=NC1=O)CC(C3=CC=CC=C3)Cl)NC4CCCCC4

InChI

InChI=1S/C23H27ClN4O3/c1-2-31-23(30)19-20(26-16-11-7-4-8-12-16)17-13-25-28(21(17)27-22(19)29)14-18(24)15-9-5-3-6-10-15/h3,5-6,9-10,13,16,18,25-26H,2,4,7-8,11-12,14H2,1H3