1-[4-(4-chloranyl-3-methoxy-phenyl)piperazin-1-yl]-2-(4-iodanylpyrazolo[3,4-b]pyridin-2-yl)ethanone

Systemtic Name: 1-[4-(4-chloranyl-3-methoxy-phenyl)piperazin-1-yl]-2-(4-iodanylpyrazolo[3,4-b]pyridin-2-yl)ethanone Openeye Name: 1-[4-(4-chloro-3-methoxy-phenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-2-yl)ethanone CAS Name: 1-[4-(4-chloro-3-methoxyphenyl)-1-piperazinyl]-2-(4-iodo-2-pyrazolo[3,4-b]pyridinyl)ethanone IUPAC Name: 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-iodopyrazolo[3,4-b]pyridin-2-yl)ethanone Traditional Name: 1-[4-(4-chloro-3-methoxy-phenyl)piperazino]-2-(4-iodopyrazolo[3,4-b]pyridin-2-yl)ethanone Formula: C19H19ClIN5O2 MolecularWeight: 511.74393

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N2CCN(CC2)C(=O)CN3C=C4C(=CC=NC4=N3)I)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)N2CCN(CC2)C(=O)CN3C=C4C(=CC=NC4=N3)I)Cl

InChI

InChI=1S/C19H19ClIN5O2/c1-28-17-10-13(2-3-15(17)20)24-6-8-25(9-7-24)18(27)12-26-11-14-16(21)4-5-22-19(14)23-26/h2-5,10-11H,6-9,12H2,1H3