2-[2,4-bis(fluoranyl)phenyl]-5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-pyrazol-3-amine

Systemtic Name: 2-[2,4-bis(fluoranyl)phenyl]-5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-pyrazol-3-amine Openeye Name: 2-(2,4-difluorophenyl)-5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-pyrazol-3-amine CAS Name: 2-(2,4-difluorophenyl)-5-(4-morpholin-4-iumylmethyl)-4-phenyl-3-pyrazolamine IUPAC Name: 2-(2,4-difluorophenyl)-5-(morpholin-4-ium-4-ylmethyl)-4-phenylpyrazol-3-amine Traditional Name: [2-(2,4-difluorophenyl)-5-(morpholin-4-ium-4-ylmethyl)-4-phenyl-pyrazol-3-yl]amine Formula: C20H21F2N4O+ MolecularWeight: 371.403746

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NN(C(=C2C3=CC=CC=C3)N)C4=C(C=C(C=C4)F)F

Isomeric SMILES

C1COCC[NH+]1CC2=NN(C(=C2C3=CC=CC=C3)N)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C20H20F2N4O/c21-15-6-7-18(16(22)12-15)26-20(23)19(14-4-2-1-3-5-14)17(24-26)13-25-8-10-27-11-9-25/h1-7,12H,8-11,13,23H2/p+1