4-fluoranyl-N-[(3Z)-3-[5-(morpholin-4-ium-4-ylmethyl)benzimidazol-2-ylidene]-1,2-dihydropyrazol-4-yl]benzamide

Systemtic Name: 4-fluoranyl-N-[(3Z)-3-[5-(morpholin-4-ium-4-ylmethyl)benzimidazol-2-ylidene]-1,2-dihydropyrazol-4-yl]benzamide Openeye Name: 4-fluoro-N-[(3Z)-3-[5-(morpholin-4-ium-4-ylmethyl)benzimidazol-2-ylidene]-1,2-dihydropyrazol-4-yl]benzamide CAS Name: 4-fluoro-N-[(3Z)-3-[5-(4-morpholin-4-iumylmethyl)-2-benzimidazolylidene]-1,2-dihydropyrazol-4-yl]benzamide IUPAC Name: 4-fluoro-N-[(3Z)-3-[5-(morpholin-4-ium-4-ylmethyl)benzimidazol-2-ylidene]-1,2-dihydropyrazol-4-yl]benzamide Traditional Name: 4-fluoro-N-[(3Z)-3-[5-(morpholin-4-ium-4-ylmethyl)benzimidazol-2-ylidene]-3-pyrazolin-4-yl]benzamide Formula: C22H22FN6O2+ MolecularWeight: 421.447483

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC3=NC(=C4C(=CNN4)NC(=O)C5=CC=C(C=C5)F)N=C3C=C2

Isomeric SMILES

C1COCC[NH+]1CC2=CC3=N/C(=C\4/C(=CNN4)NC(=O)C5=CC=C(C=C5)F)/N=C3C=C2

InChI

InChI=1S/C22H21FN6O2/c23-16-4-2-15(3-5-16)22(30)27-19-12-24-28-20(19)21-25-17-6-1-14(11-18(17)26-21)13-29-7-9-31-10-8-29/h1-6,11-12,24,28H,7-10,13H2,(H,27,30)/p+1/b21-20-