1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)-5-propan-2-yl-pyrazole-4-carboxamide

Systemtic Name: 1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)-5-propan-2-yl-pyrazole-4-carboxamide Openeye Name: 1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-5-isopropyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide CAS Name: 1-[4-(4-fluorophenyl)-5-methyl-2-pyrimidinyl]-N-[3-(4-morpholin-4-iumyl)propyl]-5-propan-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)-5-propan-2-ylpyrazole-4-carboxamide Traditional Name: 1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-5-isopropyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide Formula: C25H32FN6O2+ MolecularWeight: 467.558983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CC=C(C=C2)F)N3C(=C(C=N3)C(=O)NCCC[NH+]4CCOCC4)C(C)C

Isomeric SMILES

CC1=CN=C(N=C1C2=CC=C(C=C2)F)N3C(=C(C=N3)C(=O)NCCC[NH+]4CCOCC4)C(C)C

InChI

InChI=1S/C25H31FN6O2/c1-17(2)23-21(24(33)27-9-4-10-31-11-13-34-14-12-31)16-29-32(23)25-28-15-18(3)22(30-25)19-5-7-20(26)8-6-19/h5-8,15-17H,4,9-14H2,1-3H3,(H,27,33)/p+1