2-[[4-[(5-phenyl-1H-pyrazol-4-yl)carbonyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-[(5-phenyl-1H-pyrazol-4-yl)carbonyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[oxo-(5-phenyl-1H-pyrazol-4-yl)methyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C23H23N6O2+ MolecularWeight: 415.46772

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=C(NN=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=C(NN=C4)C5=CC=CC=C5

InChI

InChI=1S/C23H22N6O2/c30-22-17-8-4-5-9-19(17)25-20(26-22)15-28-10-12-29(13-11-28)23(31)18-14-24-27-21(18)16-6-2-1-3-7-16/h1-9,14H,10-13,15H2,(H,24,27)(H,25,26,30)/p+1