3-[phenyl-[(E)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-2-enoyl]amino]propyl N-methylcarbamate

Systemtic Name: 3-[phenyl-[(E)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-2-enoyl]amino]propyl N-methylcarbamate Openeye Name: 3-(N-[(E)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-2-enoyl]anilino)propyl N-methylcarbamate CAS Name: N-methylcarbamic acid 3-(N-[(E)-1-oxo-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-2-enyl]anilino)propyl ester IUPAC Name: 3-(N-[(E)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-2-enoyl]anilino)propyl N-methylcarbamate Traditional Name: N-methylcarbamic acid 3-(N-[(E)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-2-enoyl]anilino)propyl ester Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N(CCCOC(=O)NC)C1=CC=CC=C1)C2=C3C=CC=NC3=NN2

Isomeric SMILES

C/C(=C\C(=O)N(CCCOC(=O)NC)C1=CC=CC=C1)/C2=C3C=CC=NC3=NN2

InChI

InChI=1S/C21H23N5O3/c1-15(19-17-10-6-11-23-20(17)25-24-19)14-18(27)26(16-8-4-3-5-9-16)12-7-13-29-21(28)22-2/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,22,28)(H,23,24,25)/b15-14+