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

Systemtic Name: 5-[(3R)-3-(1,3-diphenylpyrazol-4-yl)-5-(furan-2-yl)-1,3-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoate Openeye Name: 5-[(3R)-3-(1,3-diphenylpyrazol-4-yl)-5-(2-furyl)-1,3-dihydropyrazol-2-yl]-5-oxo-pentanoate CAS Name: 5-[(3R)-3-(1,3-diphenyl-4-pyrazolyl)-5-(2-furanyl)-1,3-dihydropyrazol-2-yl]-5-oxopentanoate IUPAC Name: 5-[(3R)-3-(1,3-diphenylpyrazol-4-yl)-5-(furan-2-yl)-1,3-dihydropyrazol-2-yl]-5-oxopentanoate Traditional Name: 5-[(5R)-5-(1,3-diphenylpyrazol-4-yl)-3-(2-furyl)-3-pyrazolin-1-yl]-5-keto-valerate Formula: C27H23N4O4- MolecularWeight: 467.49592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2C3C=C(NN3C(=O)CCCC(=O)[O-])C4=CC=CO4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2[C@H]3C=C(NN3C(=O)CCCC(=O)[O-])C4=CC=CO4)C5=CC=CC=C5

InChI

InChI=1S/C27H24N4O4/c32-25(14-7-15-26(33)34)31-23(17-22(28-31)24-13-8-16-35-24)21-18-30(20-11-5-2-6-12-20)29-27(21)19-9-3-1-4-10-19/h1-6,8-13,16-18,23,28H,7,14-15H2,(H,33,34)/p-1/t23-/m1/s1