N-(3-morpholin-4-ium-4-ylpropyl)-5,7-diphenyl-pyrazolo[1,5-a]pyrimidine-2-carboxamide

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-5,7-diphenyl-pyrazolo[1,5-a]pyrimidine-2-carboxamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-5,7-diphenyl-pyrazolo[1,5-a]pyrimidine-2-carboxamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-5,7-diphenyl-2-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: N-(3-morpholin-4-ium-4-ylpropyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide Traditional Name: N-(3-morpholin-4-ium-4-ylpropyl)-5,7-diphenyl-pyrazolo[1,5-a]pyrimidine-2-carboxamide Formula: C26H28N5O2+ MolecularWeight: 442.53282

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H27N5O2/c32-26(27-12-7-13-30-14-16-33-17-15-30)23-19-25-28-22(20-8-3-1-4-9-20)18-24(31(25)29-23)21-10-5-2-6-11-21/h1-6,8-11,18-19H,7,12-17H2,(H,27,32)/p+1