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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=NCC(=O)C)N(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C3=CC=NO3

Isomeric SMILES

CCNC(=NCC(=O)C)N(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C3=CC=NO3

InChI

InChI=1S/C21H21FN4O2/c1-3-23-21(24-14-15(2)27)26(20-11-12-25-28-20)17-9-10-18(19(22)13-17)16-7-5-4-6-8-16/h4-13H,3,14H2,1-2H3,(H,23,24)