N-(5-bromanyl-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-4-(4-ethylpiperazin-1-yl)butanamide

Systemtic Name: N-(5-bromanyl-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-4-(4-ethylpiperazin-1-yl)butanamide Openeye Name: N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-4-(4-ethylpiperazin-1-yl)butanamide CAS Name: N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-4-(4-ethyl-1-piperazinyl)butanamide IUPAC Name: N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-4-(4-ethylpiperazin-1-yl)butanamide Traditional Name: N-(5-bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-yl)-4-(4-ethylpiperazino)butyramide Formula: C22H27BrN6O MolecularWeight: 471.39338

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CCCC(=O)NC2=NNC3=NC(=C(C=C32)Br)C4=CC=CC=C4

Isomeric SMILES

CCN1CCN(CC1)CCCC(=O)NC2=NNC3=NC(=C(C=C32)Br)C4=CC=CC=C4

InChI

InChI=1S/C22H27BrN6O/c1-2-28-11-13-29(14-12-28)10-6-9-19(30)24-21-17-15-18(23)20(25-22(17)27-26-21)16-7-4-3-5-8-16/h3-5,7-8,15H,2,6,9-14H2,1H3,(H2,24,25,26,27,30)