1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(2-pyridin-4-ylbenzimidazol-1-yl)ethanone

Systemtic Name: 1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(2-pyridin-4-ylbenzimidazol-1-yl)ethanone Openeye Name: 1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-[2-(4-pyridyl)benzimidazol-1-yl]ethanone CAS Name: 1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(2-pyridin-4-yl-1-benzimidazolyl)ethanone IUPAC Name: 1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-(2-pyridin-4-ylbenzimidazol-1-yl)ethanone Traditional Name: 1-[3,5-bis(4-methoxyphenyl)-2-pyrazolin-1-yl]-2-[2-(4-pyridyl)benzimidazol-1-yl]ethanone Formula: C31H27N5O3 MolecularWeight: 517.57778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CN3C4=CC=CC=C4N=C3C5=CC=NC=C5)C6=CC=C(C=C6)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CN3C4=CC=CC=C4N=C3C5=CC=NC=C5)C6=CC=C(C=C6)OC

InChI

InChI=1S/C31H27N5O3/c1-38-24-11-7-21(8-12-24)27-19-29(22-9-13-25(39-2)14-10-22)36(34-27)30(37)20-35-28-6-4-3-5-26(28)33-31(35)23-15-17-32-18-16-23/h3-18,29H,19-20H2,1-2H3