2-[[4-[4-(phenylcarbonyl)phenyl]carbonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-[4-(phenylcarbonyl)phenyl]carbonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(4-benzoylbenzoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[(4-benzoylphenyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(4-benzoylbenzoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(4-benzoylbenzoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C27H25N4O3+ MolecularWeight: 453.5124

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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)C(=O)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C27H24N4O3/c32-25(19-6-2-1-3-7-19)20-10-12-21(13-11-20)27(34)31-16-14-30(15-17-31)18-24-28-23-9-5-4-8-22(23)26(33)29-24/h1-13H,14-18H2,(H,28,29,33)/p+1