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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=C3N=C(C=C(N3N=C2)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=C3N=C(C=C(N3N=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)22-19-28-31-24(21-10-5-2-6-11-21)18-23(29-25(22)31)20-8-3-1-4-9-20/h1-6,8-11,18-19H,7,12-17H2,(H,27,32)/p+1