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

Systemtic Name: 1-[3-[1-(3-fluoranyl-4-phenyl-phenyl)ethyl]-1,2-oxazol-5-yl]-2-(2-oxidanylidenepropyl)guanidine Openeye Name: 2-acetonyl-1-[3-[1-(3-fluoro-4-phenyl-phenyl)ethyl]isoxazol-5-yl]guanidine CAS Name: 1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-5-isoxazolyl]-2-(2-oxopropyl)guanidine IUPAC Name: 1-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]-2-(2-oxopropyl)guanidine Traditional Name: 2-acetonyl-1-[3-[1-(3-fluoro-4-phenyl-phenyl)ethyl]isoxazol-5-yl]guanidine Formula: C21H21FN4O2 MolecularWeight: 380.415443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C3=NOC(=C3)NC(=NCC(=O)C)N

Isomeric SMILES

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C3=NOC(=C3)NC(=NCC(=O)C)N

InChI

InChI=1S/C21H21FN4O2/c1-13(27)12-24-21(23)25-20-11-19(26-28-20)14(2)16-8-9-17(18(22)10-16)15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3,(H3,23,24,25)