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

Systemtic Name: 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]pyrazole-4-carboxamide Openeye Name: 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]pyrazole-4-carboxamide CAS Name: 1-[4-(2-fluorophenyl)-2-pyrimidinyl]-5-methyl-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]pyrazole-4-carboxamide Traditional Name: 1-[4-(2-fluorophenyl)pyrimidin-2-yl]-5-methyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]pyrazole-4-carboxamide Formula: C26H32FN6O2+ MolecularWeight: 479.569683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CC=C3F)C(=O)NCC4(CCCCC4)[NH+]5CCOCC5

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC=CC=C3F)C(=O)NCC4(CCCCC4)[NH+]5CCOCC5

InChI

InChI=1S/C26H31FN6O2/c1-19-21(24(34)29-18-26(10-5-2-6-11-26)32-13-15-35-16-14-32)17-30-33(19)25-28-12-9-23(31-25)20-7-3-4-8-22(20)27/h3-4,7-9,12,17H,2,5-6,10-11,13-16,18H2,1H3,(H,29,34)/p+1