2-[[4-(2,5-diphenylpyrazol-3-yl)carbonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-(2,5-diphenylpyrazol-3-yl)carbonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(2,5-diphenylpyrazole-3-carbonyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[(2,5-diphenyl-3-pyrazolyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(2,5-diphenylpyrazole-3-carbonyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(2,5-diphenylpyrazole-3-carbonyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C29H27N6O2+ MolecularWeight: 491.56368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=CC(=NN4C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=CC(=NN4C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C29H26N6O2/c36-28-23-13-7-8-14-24(23)30-27(31-28)20-33-15-17-34(18-16-33)29(37)26-19-25(21-9-3-1-4-10-21)32-35(26)22-11-5-2-6-12-22/h1-14,19H,15-18,20H2,(H,30,31,36)/p+1