4-[4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-pyridin-4-yl-imidazol-2-yl]but-3-ynyl benzoate

Systemtic Name: 4-[4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-pyridin-4-yl-imidazol-2-yl]but-3-ynyl benzoate Openeye Name: 4-[4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-(4-pyridyl)imidazol-2-yl]but-3-ynyl benzoate CAS Name: benzoic acid 4-[4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-pyridin-4-yl-2-imidazolyl]but-3-ynyl ester IUPAC Name: 4-[4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-pyridin-4-ylimidazol-2-yl]but-3-ynyl benzoate Traditional Name: benzoic acid 4-[4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-(4-pyridyl)imidazol-2-yl]but-3-ynyl ester Formula: C34H28FN3O2 MolecularWeight: 529.603423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN2C(=NC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)F)C#CCCOC(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCCN2C(=NC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)F)C#CCCOC(=O)C5=CC=CC=C5

InChI

InChI=1S/C34H28FN3O2/c35-30-18-16-27(17-19-30)32-33(28-20-22-36-23-21-28)38(24-9-12-26-10-3-1-4-11-26)31(37-32)15-7-8-25-40-34(39)29-13-5-2-6-14-29/h1-6,10-11,13-14,16-23H,8-9,12,24-25H2