1-[[(3R)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methyl]-5-bromanyl-indole-2,3-dione

Systemtic Name: 1-[[(3R)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methyl]-5-bromanyl-indole-2,3-dione Openeye Name: 1-[[(3R)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methyl]-5-bromo-indoline-2,3-dione CAS Name: 1-[[(3R)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methyl]-5-bromoindole-2,3-dione IUPAC Name: 1-[[(3R)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methyl]-5-bromoindole-2,3-dione Traditional Name: 1-[[(5R)-3,5-bis(4-methoxyphenyl)-2-pyrazolin-1-yl]methyl]-5-bromo-isatin Formula: C26H22BrN3O4 MolecularWeight: 520.37458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2CN3C4=C(C=C(C=C4)Br)C(=O)C3=O)C5=CC=C(C=C5)OC

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CC(=NN2CN3C4=C(C=C(C=C4)Br)C(=O)C3=O)C5=CC=C(C=C5)OC

InChI

InChI=1S/C26H22BrN3O4/c1-33-19-8-3-16(4-9-19)22-14-24(17-5-10-20(34-2)11-6-17)30(28-22)15-29-23-12-7-18(27)13-21(23)25(31)26(29)32/h3-13,24H,14-15H2,1-2H3/t24-/m1/s1