2-[[5-[1-(3-fluoranyl-4-phenyl-phenyl)ethyl]-1,2-oxazol-3-yl]methyl]-1-phenethyl-guanidine

Systemtic Name: 2-[[5-[1-(3-fluoranyl-4-phenyl-phenyl)ethyl]-1,2-oxazol-3-yl]methyl]-1-phenethyl-guanidine Openeye Name: 2-[[5-[1-(3-fluoro-4-phenyl-phenyl)ethyl]isoxazol-3-yl]methyl]-1-phenethyl-guanidine CAS Name: 2-[[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-3-isoxazolyl]methyl]-1-phenethylguanidine IUPAC Name: 2-[[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-3-yl]methyl]-1-phenethylguanidine Traditional Name: 2-[[5-[1-(3-fluoro-4-phenyl-phenyl)ethyl]isoxazol-3-yl]methyl]-1-phenethyl-guanidine Formula: C27H27FN4O MolecularWeight: 442.527883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C3=CC(=NO3)CN=C(N)NCCC4=CC=CC=C4

Isomeric SMILES

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C3=CC(=NO3)CN=C(N)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H27FN4O/c1-19(22-12-13-24(25(28)16-22)21-10-6-3-7-11-21)26-17-23(32-33-26)18-31-27(29)30-15-14-20-8-4-2-5-9-20/h2-13,16-17,19H,14-15,18H2,1H3,(H3,29,30,31)