2-[[4-(4-pyrazol-1-ylphenyl)carbonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(4-pyrazol-1-ylphenyl)carbonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(4-pyrazol-1-ylbenzoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[oxo-[4-(1-pyrazolyl)phenyl]methyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(4-pyrazol-1-ylbenzoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(4-pyrazol-1-ylbenzoyl)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=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=CC=C(C=C4)N5C=CC=N5

InChI

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