[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 6-phenyl-1-(phenylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 6-phenyl-1-(phenylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 1-benzyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-phenyl-1-(phenylmethyl)-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 1-benzyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-benzyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C26H23N5O4 MolecularWeight: 469.49192

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)COC(=O)C1=CC(=NC2=C1C=NN2CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C=CCNC(=O)NC(=O)COC(=O)C1=CC(=NC2=C1C=NN2CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H23N5O4/c1-2-13-27-26(34)30-23(32)17-35-25(33)20-14-22(19-11-7-4-8-12-19)29-24-21(20)15-28-31(24)16-18-9-5-3-6-10-18/h2-12,14-15H,1,13,16-17H2,(H2,27,30,32,34)