methyl 4-[[6-phenyl-1-(phenylmethyl)pyrazolo[3,4-b]pyridin-4-yl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[6-phenyl-1-(phenylmethyl)pyrazolo[3,4-b]pyridin-4-yl]carbonylamino]butanoate Openeye Name: methyl 4-[(1-benzyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoate CAS Name: 4-[[oxo-[6-phenyl-1-(phenylmethyl)-4-pyrazolo[3,4-b]pyridinyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(1-benzyl-6-phenylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]butanoate Traditional Name: 4-[(1-benzyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carbonyl)amino]butyric acid methyl ester Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=CC(=NC2=C1C=NN2CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CCCNC(=O)C1=CC(=NC2=C1C=NN2CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H24N4O3/c1-32-23(30)13-8-14-26-25(31)20-15-22(19-11-6-3-7-12-19)28-24-21(20)16-27-29(24)17-18-9-4-2-5-10-18/h2-7,9-12,15-16H,8,13-14,17H2,1H3,(H,26,31)