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

Systemtic Name: 1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)-5-propan-2-yl-pyrazole-4-carboxamide Openeye Name: 1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-5-isopropyl-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide CAS Name: 1-[4-(4-fluorophenyl)-5-methyl-2-pyrimidinyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-5-propan-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)-5-propan-2-ylpyrazole-4-carboxamide Traditional Name: 1-[4-(4-fluorophenyl)-5-methyl-pyrimidin-2-yl]-5-isopropyl-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide Formula: C24H30FN6O2+ MolecularWeight: 453.532403

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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)NCC[NH+]4CCOCC4)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H29FN6O2/c1-16(2)22-20(23(32)26-8-9-30-10-12-33-13-11-30)15-28-31(22)24-27-14-17(3)21(29-24)18-4-6-19(25)7-5-18/h4-7,14-16H,8-13H2,1-3H3,(H,26,32)/p+1