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

Systemtic Name: ethyl 1-(2-chloranyl-2-phenyl-ethyl)-4-piperazin-1-yl-pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: ethyl 1-(2-chloro-2-phenyl-ethyl)-4-piperazin-1-yl-pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-(2-chloro-2-phenylethyl)-4-(1-piperazinyl)-5-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-chloro-2-phenylethyl)-4-piperazin-1-ylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-(2-chloro-2-phenyl-ethyl)-4-piperazino-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester Formula: C21H24ClN5O2 MolecularWeight: 413.90056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=C1N3CCNCC3)C=NN2CC(C4=CC=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=C1N3CCNCC3)C=NN2CC(C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H24ClN5O2/c1-2-29-21(28)17-12-24-20-16(19(17)26-10-8-23-9-11-26)13-25-27(20)14-18(22)15-6-4-3-5-7-15/h3-7,12-13,18,23H,2,8-11,14H2,1H3