2-[phenyl-[(E)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enoyl]amino]ethyl N-[(2S)-1-oxidanylpropan-2-yl]carbamate

Systemtic Name: 2-[phenyl-[(E)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enoyl]amino]ethyl N-[(2S)-1-oxidanylpropan-2-yl]carbamate Openeye Name: 2-(N-[(E)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enoyl]anilino)ethyl N-[(1S)-2-hydroxy-1-methyl-ethyl]carbamate CAS Name: N-[(2S)-1-hydroxypropan-2-yl]carbamic acid 2-(N-[(E)-1-oxo-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enyl]anilino)ethyl ester IUPAC Name: 2-(N-[(E)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enoyl]anilino)ethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate Traditional Name: N-[(1S)-2-hydroxy-1-methyl-ethyl]carbamic acid 2-(N-[(E)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)acryloyl]anilino)ethyl ester Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)NC(=O)OCCN(C1=CC=CC=C1)C(=O)C=CC2=C3C=CC=NC3=NN2

Isomeric SMILES

C[C@@H](CO)NC(=O)OCCN(C1=CC=CC=C1)C(=O)/C=C/C2=C3C=CC=NC3=NN2

InChI

InChI=1S/C21H23N5O4/c1-15(14-27)23-21(29)30-13-12-26(16-6-3-2-4-7-16)19(28)10-9-18-17-8-5-11-22-20(17)25-24-18/h2-11,15,27H,12-14H2,1H3,(H,23,29)(H,22,24,25)/b10-9+/t15-/m0/s1