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

Systemtic Name: 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)-5-propan-2-yl-pyrazole-4-carboxamide Openeye Name: 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-isopropyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide CAS Name: 1-[4-(2-fluorophenyl)-2-pyrimidinyl]-N-[3-(4-morpholin-4-iumyl)propyl]-5-propan-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N-(3-morpholin-4-ium-4-ylpropyl)-5-propan-2-ylpyrazole-4-carboxamide Traditional Name: 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-isopropyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide Formula: C24H30FN6O2+ MolecularWeight: 453.532403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=NC=CC(=N2)C3=CC=CC=C3F)C(=O)NCCC[NH+]4CCOCC4

Isomeric SMILES

CC(C)C1=C(C=NN1C2=NC=CC(=N2)C3=CC=CC=C3F)C(=O)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C24H29FN6O2/c1-17(2)22-19(23(32)26-9-5-11-30-12-14-33-15-13-30)16-28-31(22)24-27-10-8-21(29-24)18-6-3-4-7-20(18)25/h3-4,6-8,10,16-17H,5,9,11-15H2,1-2H3,(H,26,32)/p+1