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

Systemtic Name: methyl 1-(2-chloranyl-2-phenyl-ethyl)-4-(propylamino)pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: methyl 1-(2-chloro-2-phenyl-ethyl)-4-(propylamino)pyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-(2-chloro-2-phenylethyl)-4-(propylamino)-5-pyrazolo[3,4-b]pyridinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-chloro-2-phenylethyl)-4-(propylamino)pyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-(2-chloro-2-phenyl-ethyl)-4-(propylamino)pyrazolo[3,4-b]pyridine-5-carboxylic acid methyl ester Formula: C19H21ClN4O2 MolecularWeight: 372.84864

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C2C=NN(C2=NC=C1C(=O)OC)CC(C3=CC=CC=C3)Cl

Isomeric SMILES

CCCNC1=C2C=NN(C2=NC=C1C(=O)OC)CC(C3=CC=CC=C3)Cl

InChI

InChI=1S/C19H21ClN4O2/c1-3-9-21-17-14-11-23-24(12-16(20)13-7-5-4-6-8-13)18(14)22-10-15(17)19(25)26-2/h4-8,10-11,16H,3,9,12H2,1-2H3,(H,21,22)