2-phenyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-imidazo[1,5-a]pyrimidine-8-carboxamide

Systemtic Name: 2-phenyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-imidazo[1,5-a]pyrimidine-8-carboxamide Openeye Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-2-phenyl-imidazo[1,5-a]pyrimidine-8-carboxamide CAS Name: 4-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-2-phenyl-8-imidazo[1,5-a]pyrimidinecarboxamide IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-2-phenylimidazo[1,5-a]pyrimidine-8-carboxamide Traditional Name: 4-(4-benzylpiperazin-4-ium-1-carbonyl)-2-phenyl-imidazo[1,5-a]pyrimidine-8-carboxamide Formula: C25H25N6O2+ MolecularWeight: 441.505

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=NC4=C(N=CN34)C(=O)N)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=NC4=C(N=CN34)C(=O)N)C5=CC=CC=C5

InChI

InChI=1S/C25H24N6O2/c26-23(32)22-24-28-20(19-9-5-2-6-10-19)15-21(31(24)17-27-22)25(33)30-13-11-29(12-14-30)16-18-7-3-1-4-8-18/h1-10,15,17H,11-14,16H2,(H2,26,32)/p+1