5,7-diphenyl-N-(pyridin-1-ium-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

Systemtic Name: 5,7-diphenyl-N-(pyridin-1-ium-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Openeye Name: 5,7-diphenyl-N-(pyridin-1-ium-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide CAS Name: 5,7-diphenyl-N-(3-pyridin-1-iumylmethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 5,7-diphenyl-N-(pyridin-1-ium-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Traditional Name: 5,7-diphenyl-N-(pyridin-1-ium-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide Formula: C25H20N5O+ MolecularWeight: 406.4592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC3=CC(=NN23)C(=O)NCC4=C[NH+]=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC3=CC(=NN23)C(=O)NCC4=C[NH+]=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H19N5O/c31-25(27-17-18-8-7-13-26-16-18)22-15-24-28-21(19-9-3-1-4-10-19)14-23(30(24)29-22)20-11-5-2-6-12-20/h1-16H,17H2,(H,27,31)/p+1