1-[(3S)-3-(1,3-diphenylpyrazol-4-yl)-5-(4-ethylphenyl)-3,4-dihydropyrazol-2-yl]ethanone

Systemtic Name: 1-[(3S)-3-(1,3-diphenylpyrazol-4-yl)-5-(4-ethylphenyl)-3,4-dihydropyrazol-2-yl]ethanone Openeye Name: 1-[(3S)-3-(1,3-diphenylpyrazol-4-yl)-5-(4-ethylphenyl)-3,4-dihydropyrazol-2-yl]ethanone CAS Name: 1-[(3S)-3-(1,3-diphenyl-4-pyrazolyl)-5-(4-ethylphenyl)-3,4-dihydropyrazol-2-yl]ethanone IUPAC Name: 1-[(3S)-3-(1,3-diphenylpyrazol-4-yl)-5-(4-ethylphenyl)-3,4-dihydropyrazol-2-yl]ethanone Traditional Name: 1-[(5S)-5-(1,3-diphenylpyrazol-4-yl)-3-(4-ethylphenyl)-2-pyrazolin-1-yl]ethanone Formula: C28H26N4O MolecularWeight: 434.53224

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NN(C(C2)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NN([C@@H](C2)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C(=O)C

InChI

InChI=1S/C28H26N4O/c1-3-21-14-16-22(17-15-21)26-18-27(32(29-26)20(2)33)25-19-31(24-12-8-5-9-13-24)30-28(25)23-10-6-4-7-11-23/h4-17,19,27H,3,18H2,1-2H3/t27-/m0/s1