4-[(3S)-3-(1,3-diphenylpyrazol-4-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3S)-3-(1,3-diphenylpyrazol-4-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-3-(1,3-diphenylpyrazol-4-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-3-(1,3-diphenyl-4-pyrazolyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-3-(1,3-diphenylpyrazol-4-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-5-(1,3-diphenylpyrazol-4-yl)-3-(4-methoxyphenyl)-2-pyrazolin-1-yl]-4-keto-butyrate Formula: C29H25N4O4- MolecularWeight: 493.5332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C(=O)CCC(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN([C@@H](C2)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C29H26N4O4/c1-37-23-14-12-20(13-15-23)25-18-26(33(30-25)27(34)16-17-28(35)36)24-19-32(22-10-6-3-7-11-22)31-29(24)21-8-4-2-5-9-21/h2-15,19,26H,16-18H2,1H3,(H,35,36)/p-1/t26-/m0/s1