6-[4-(4-fluorophenyl)-5-pyridin-4-yl-1-(3-pyrimidin-4-ylpropyl)imidazol-2-yl]hex-5-ynyl ethanoate

Systemtic Name: 6-[4-(4-fluorophenyl)-5-pyridin-4-yl-1-(3-pyrimidin-4-ylpropyl)imidazol-2-yl]hex-5-ynyl ethanoate Openeye Name: 6-[4-(4-fluorophenyl)-5-(4-pyridyl)-1-(3-pyrimidin-4-ylpropyl)imidazol-2-yl]hex-5-ynyl acetate CAS Name: acetic acid 6-[4-(4-fluorophenyl)-5-pyridin-4-yl-1-[3-(4-pyrimidinyl)propyl]-2-imidazolyl]hex-5-ynyl ester IUPAC Name: 6-[4-(4-fluorophenyl)-5-pyridin-4-yl-1-(3-pyrimidin-4-ylpropyl)imidazol-2-yl]hex-5-ynyl acetate Traditional Name: acetic acid 6-[4-(4-fluorophenyl)-5-(4-pyridyl)-1-[3-(4-pyrimidyl)propyl]imidazol-2-yl]hex-5-ynyl ester Formula: C29H28FN5O2 MolecularWeight: 497.563323

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCC#CC1=NC(=C(N1CCCC2=NC=NC=C2)C3=CC=NC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)OCCCCC#CC1=NC(=C(N1CCCC2=NC=NC=C2)C3=CC=NC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C29H28FN5O2/c1-22(36)37-20-5-3-2-4-8-27-34-28(23-9-11-25(30)12-10-23)29(24-13-16-31-17-14-24)35(27)19-6-7-26-15-18-32-21-33-26/h9-18,21H,2-3,5-7,19-20H2,1H3