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

Systemtic Name: [4-chloranyl-1-(4-methoxyphenyl)-3-methyl-pyrazolo[3,4-b]pyridin-5-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [4-chloro-1-(4-methoxyphenyl)-3-methyl-pyrazolo[3,4-b]pyridin-5-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [4-chloro-1-(4-methoxyphenyl)-3-methyl-5-pyrazolo[3,4-b]pyridinyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [4-chloro-1-(4-methoxyphenyl)-3-methylpyrazolo[3,4-b]pyridin-5-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [4-chloro-1-(4-methoxyphenyl)-3-methyl-pyrazolo[3,4-b]pyridin-5-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C21H25ClN5O2+ MolecularWeight: 414.9085

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN5O2/c1-4-25-9-11-26(12-10-25)21(28)17-13-23-20-18(19(17)22)14(2)24-27(20)15-5-7-16(29-3)8-6-15/h5-8,13H,4,9-12H2,1-3H3/p+1