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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=O)[N+]3=CC=CC=C3N2)C(=O)C4=CC(=NN4C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC(=O)[N+]3=CC=CC=C3N2)C(=O)C4=CC(=NN4C5=CC=CC=C5)C6=CC=CC=C6

InChI

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