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

Systemtic Name: 2-[[4-[2-nitro-4-(phenylcarbonyl)phenyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(4-benzoyl-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-(4-benzoyl-2-nitrophenyl)-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(4-benzoyl-2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(4-benzoyl-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C26H24N5O4+ MolecularWeight: 470.49986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23N5O4/c32-25(18-6-2-1-3-7-18)19-10-11-22(23(16-19)31(34)35)30-14-12-29(13-15-30)17-24-27-21-9-5-4-8-20(21)26(33)28-24/h1-11,16H,12-15,17H2,(H,27,28,33)/p+1