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

Systemtic Name: ethyl 1-(2-chloranyl-2-phenyl-ethyl)-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 1-(2-chloro-2-phenyl-ethyl)-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-(2-chloro-2-phenylethyl)-4-(4-methyl-1-piperazinyl)-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-chloro-2-phenylethyl)-4-(4-methylpiperazin-1-yl)pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-(2-chloro-2-phenyl-ethyl)-4-(4-methylpiperazino)pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C22H26ClN5O2 MolecularWeight: 427.92714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1N3CCN(CC3)C)C=NN2CC(C4=CC=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1N3CCN(CC3)C)C=NN2CC(C4=CC=CC=C4)Cl

InChI

InChI=1S/C22H26ClN5O2/c1-3-30-22(29)18-13-24-21-17(20(18)27-11-9-26(2)10-12-27)14-25-28(21)15-19(23)16-7-5-4-6-8-16/h4-8,13-14,19H,3,9-12,15H2,1-2H3