4-[4-(4-fluoranylcyclohexa-1,3-dien-1-yl)-1-(3-phenylpropyl)-5-pyridin-4-yl-imidazol-2-yl]but-3-ynyl N-phenylcarbamate

Systemtic Name: 4-[4-(4-fluoranylcyclohexa-1,3-dien-1-yl)-1-(3-phenylpropyl)-5-pyridin-4-yl-imidazol-2-yl]but-3-ynyl N-phenylcarbamate Openeye Name: 4-[4-(4-fluorocyclohexa-1,3-dien-1-yl)-1-(3-phenylpropyl)-5-(4-pyridyl)imidazol-2-yl]but-3-ynyl N-phenylcarbamate CAS Name: N-phenylcarbamic acid 4-[4-(4-fluoro-1-cyclohexa-1,3-dienyl)-1-(3-phenylpropyl)-5-pyridin-4-yl-2-imidazolyl]but-3-ynyl ester IUPAC Name: 4-[4-(4-fluorocyclohexa-1,3-dien-1-yl)-1-(3-phenylpropyl)-5-pyridin-4-ylimidazol-2-yl]but-3-ynyl N-phenylcarbamate Traditional Name: N-phenylcarbamic acid 4-[4-(4-fluorocyclohexa-1,3-dien-1-yl)-1-(3-phenylpropyl)-5-(4-pyridyl)imidazol-2-yl]but-3-ynyl ester Formula: C34H31FN4O2 MolecularWeight: 546.633943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=CC=C1C2=C(N(C(=N2)C#CCCOC(=O)NC3=CC=CC=C3)CCCC4=CC=CC=C4)C5=CC=NC=C5)F

Isomeric SMILES

C1CC(=CC=C1C2=C(N(C(=N2)C#CCCOC(=O)NC3=CC=CC=C3)CCCC4=CC=CC=C4)C5=CC=NC=C5)F

InChI

InChI=1S/C34H31FN4O2/c35-29-18-16-27(17-19-29)32-33(28-20-22-36-23-21-28)39(24-9-12-26-10-3-1-4-11-26)31(38-32)15-7-8-25-41-34(40)37-30-13-5-2-6-14-30/h1-6,10-11,13-14,16,18,20-23H,8-9,12,17,19,24-25H2,(H,37,40)