5-[(3R)-5-(1,3-diphenylpyrazol-4-yl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[(3R)-5-(1,3-diphenylpyrazol-4-yl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3R)-5-(1,3-diphenylpyrazol-4-yl)-3-(p-tolyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoate CAS Name: 5-[(3R)-5-(1,3-diphenyl-4-pyrazolyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoate IUPAC Name: 5-[(3R)-5-(1,3-diphenylpyrazol-4-yl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoate Traditional Name: 5-[(5R)-3-(1,3-diphenylpyrazol-4-yl)-5-(p-tolyl)-2-pyrazolin-1-yl]-5-keto-valerate Formula: C30H27N4O3- MolecularWeight: 491.56038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(=NN2C(=O)CCCC(=O)[O-])C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2CC(=NN2C(=O)CCCC(=O)[O-])C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H28N4O3/c1-21-15-17-22(18-16-21)27-19-26(31-34(27)28(35)13-8-14-29(36)37)25-20-33(24-11-6-3-7-12-24)32-30(25)23-9-4-2-5-10-23/h2-7,9-12,15-18,20,27H,8,13-14,19H2,1H3,(H,36,37)/p-1/t27-/m1/s1