(4-chloranyl-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridin-5-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (4-chloranyl-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridin-5-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-chloro-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridin-5-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: (4-chloro-3-methyl-1-phenyl-5-pyrazolo[3,4-b]pyridinyl)-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: (4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridin-5-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-chloro-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridin-5-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C20H23ClN5O+ MolecularWeight: 384.88252

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CN=C3C(=C2Cl)C(=NN3C4=CC=CC=C4)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CN=C3C(=C2Cl)C(=NN3C4=CC=CC=C4)C

InChI

InChI=1S/C20H22ClN5O/c1-3-24-9-11-25(12-10-24)20(27)16-13-22-19-17(18(16)21)14(2)23-26(19)15-7-5-4-6-8-15/h4-8,13H,3,9-12H2,1-2H3/p+1