5-(4-fluorophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-pyrazole-3-carboxamide

Systemtic Name: 5-(4-fluorophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-pyrazole-3-carboxamide Openeye Name: 5-(4-fluorophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-pyrazole-3-carboxamide CAS Name: 5-(4-fluorophenyl)-N-[3-(4-morpholin-4-iumyl)propyl]-2-phenyl-3-pyrazolecarboxamide IUPAC Name: 5-(4-fluorophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-phenylpyrazole-3-carboxamide Traditional Name: 5-(4-fluorophenyl)-N-(3-morpholin-4-ium-4-ylpropyl)-2-phenyl-pyrazole-3-carboxamide Formula: C23H26FN4O2+ MolecularWeight: 409.476543

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H25FN4O2/c24-19-9-7-18(8-10-19)21-17-22(28(26-21)20-5-2-1-3-6-20)23(29)25-11-4-12-27-13-15-30-16-14-27/h1-3,5-10,17H,4,11-16H2,(H,25,29)/p+1