1-(1-adamantyl)-3-[4-(4-fluoranylphenoxy)but-2-ynyl]urea

Systemtic Name: 1-(1-adamantyl)-3-[4-(4-fluoranylphenoxy)but-2-ynyl]urea Openeye Name: 1-(1-adamantyl)-3-[4-(4-fluorophenoxy)but-2-ynyl]urea CAS Name: 1-(1-adamantyl)-3-[4-(4-fluorophenoxy)but-2-ynyl]urea IUPAC Name: 1-(1-adamantyl)-3-[4-(4-fluorophenoxy)but-2-ynyl]urea Traditional Name: 1-(1-adamantyl)-3-[4-(4-fluorophenoxy)but-2-ynyl]urea Formula: C21H25FN2O2 MolecularWeight: 356.433803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCC#CCOC4=CC=C(C=C4)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCC#CCOC4=CC=C(C=C4)F

InChI

InChI=1S/C21H25FN2O2/c22-18-3-5-19(6-4-18)26-8-2-1-7-23-20(25)24-21-12-15-9-16(13-21)11-17(10-15)14-21/h3-6,15-17H,7-14H2,(H2,23,24,25)