3-[4-[(3S)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-phenyl-pyrazol-1-yl]propanoate

Systemtic Name: 3-[4-[(3S)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-phenyl-pyrazol-1-yl]propanoate Openeye Name: 3-[3-phenyl-4-[(3S)-2-phenyl-5-(p-tolyl)-3,4-dihydropyrazol-3-yl]pyrazol-1-yl]propanoate CAS Name: 3-[4-[(3S)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-phenyl-1-pyrazolyl]propanoate IUPAC Name: 3-[4-[(3S)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-3-phenylpyrazol-1-yl]propanoate Traditional Name: 3-[3-phenyl-4-[(3S)-2-phenyl-5-(p-tolyl)-2-pyrazolin-3-yl]pyrazol-1-yl]propionate Formula: C28H25N4O2- MolecularWeight: 449.5237

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CN(N=C3C4=CC=CC=C4)CCC(=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN([C@@H](C2)C3=CN(N=C3C4=CC=CC=C4)CCC(=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C28H26N4O2/c1-20-12-14-21(15-13-20)25-18-26(32(29-25)23-10-6-3-7-11-23)24-19-31(17-16-27(33)34)30-28(24)22-8-4-2-5-9-22/h2-15,19,26H,16-18H2,1H3,(H,33,34)/p-1/t26-/m0/s1