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

Systemtic Name: 5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide Openeye Name: 5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide CAS Name: 5-cyclopropyl-1-[4-(2-fluorophenyl)-2-pyrimidinyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-4-pyrazolecarboxamide IUPAC Name: 5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide Traditional Name: 5-cyclopropyl-1-[4-(2-fluorophenyl)pyrimidin-2-yl]-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide Formula: C23H26FN6O2+ MolecularWeight: 437.489943

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C=NN2C3=NC=CC(=N3)C4=CC=CC=C4F)C(=O)NCC[NH+]5CCOCC5

Isomeric SMILES

C1CC1C2=C(C=NN2C3=NC=CC(=N3)C4=CC=CC=C4F)C(=O)NCC[NH+]5CCOCC5

InChI

InChI=1S/C23H25FN6O2/c24-19-4-2-1-3-17(19)20-7-8-26-23(28-20)30-21(16-5-6-16)18(15-27-30)22(31)25-9-10-29-11-13-32-14-12-29/h1-4,7-8,15-16H,5-6,9-14H2,(H,25,31)/p+1