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

Systemtic Name: 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N-[(1-morpholin-4-ium-4-ylcyclopentyl)methyl]-5-propan-2-yl-pyrazole-4-carboxamide Openeye Name: 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-isopropyl-N-[(1-morpholin-4-ium-4-ylcyclopentyl)methyl]pyrazole-4-carboxamide CAS Name: 1-[4-(2-fluorophenyl)-2-pyrimidinyl]-N-[[1-(4-morpholin-4-iumyl)cyclopentyl]methyl]-5-propan-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N-[(1-morpholin-4-ium-4-ylcyclopentyl)methyl]-5-propan-2-ylpyrazole-4-carboxamide Traditional Name: 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-isopropyl-N-[(1-morpholin-4-ium-4-ylcyclopentyl)methyl]pyrazole-4-carboxamide Formula: C27H34FN6O2+ MolecularWeight: 493.596263

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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)NCC4(CCCC4)[NH+]5CCOCC5

Isomeric SMILES

CC(C)C1=C(C=NN1C2=NC=CC(=N2)C3=CC=CC=C3F)C(=O)NCC4(CCCC4)[NH+]5CCOCC5

InChI

InChI=1S/C27H33FN6O2/c1-19(2)24-21(25(35)30-18-27(10-5-6-11-27)33-13-15-36-16-14-33)17-31-34(24)26-29-12-9-23(32-26)20-7-3-4-8-22(20)28/h3-4,7-9,12,17,19H,5-6,10-11,13-16,18H2,1-2H3,(H,30,35)/p+1