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

Systemtic Name: propyl 1-(2-chloranyl-2-phenyl-ethyl)-4-(propylamino)pyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C21H25ClN4O2 MolecularWeight: 400.9018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O2/c1-3-10-23-19-16-13-25-26(14-18(22)15-8-6-5-7-9-15)20(16)24-12-17(19)21(27)28-11-4-2/h5-9,12-13,18H,3-4,10-11,14H2,1-2H3,(H,23,24)