4-[(3R)-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]-5-phenyl-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3R)-3-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]-5-phenyl-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-oxo-4-[(3R)-5-phenyl-3-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]-1,3-dihydropyrazol-2-yl]butanoate CAS Name: 4-[(3R)-3-[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-5-phenyl-1,3-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3R)-3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-5-phenyl-1,3-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[(5R)-3-phenyl-5-[1-phenyl-3-(p-tolyl)pyrazol-4-yl]-3-pyrazolin-1-yl]butyrate Formula: C29H25N4O3- MolecularWeight: 477.5338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C3C=C(NN3C(=O)CCC(=O)[O-])C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2[C@H]3C=C(NN3C(=O)CCC(=O)[O-])C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H26N4O3/c1-20-12-14-22(15-13-20)29-24(19-32(31-29)23-10-6-3-7-11-23)26-18-25(21-8-4-2-5-9-21)30-33(26)27(34)16-17-28(35)36/h2-15,18-19,26,30H,16-17H2,1H3,(H,35,36)/p-1/t26-/m1/s1