1-[(3R)-3-(1,3-diphenylpyrazol-4-yl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanone

Systemtic Name: 1-[(3R)-3-(1,3-diphenylpyrazol-4-yl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanone Openeye Name: 1-[(3R)-3-(1,3-diphenylpyrazol-4-yl)-5-(2-furyl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ium-1-yl-ethanone CAS Name: 1-[(3R)-3-(1,3-diphenyl-4-pyrazolyl)-5-(2-furanyl)-3,4-dihydropyrazol-2-yl]-2-(1-pyrrolidin-1-iumyl)ethanone IUPAC Name: 1-[(3R)-3-(1,3-diphenylpyrazol-4-yl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-pyrrolidin-1-ium-1-ylethanone Traditional Name: 1-[(5R)-5-(1,3-diphenylpyrazol-4-yl)-3-(2-furyl)-2-pyrazolin-1-yl]-2-pyrrolidin-1-ium-1-yl-ethanone Formula: C28H28N5O2+ MolecularWeight: 466.55422

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(=O)N2C(CC(=N2)C3=CC=CO3)C4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1CC[NH+](C1)CC(=O)N2[C@H](CC(=N2)C3=CC=CO3)C4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C28H27N5O2/c34-27(20-31-15-7-8-16-31)33-25(18-24(29-33)26-14-9-17-35-26)23-19-32(22-12-5-2-6-13-22)30-28(23)21-10-3-1-4-11-21/h1-6,9-14,17,19,25H,7-8,15-16,18,20H2/p+1/t25-/m1/s1