1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]pyrazole-4-carboxamide

Systemtic Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]pyrazole-4-carboxamide Openeye Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]pyrazole-4-carboxamide CAS Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-4-pyrazolecarboxamide IUPAC Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]pyrazole-4-carboxamide Traditional Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]pyrazole-4-carboxamide Formula: C27H28FN6O2+ MolecularWeight: 487.548623

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CN(N=C3C4=CC(=CC=C4)OC)C5=CC=C(C=C5)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CN(N=C3C4=CC(=CC=C4)OC)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H27FN6O2/c1-32-12-14-33(15-13-32)25-11-8-21(17-29-25)30-27(35)24-18-34(22-9-6-20(28)7-10-22)31-26(24)19-4-3-5-23(16-19)36-2/h3-11,16-18H,12-15H2,1-2H3,(H,30,35)/p+1