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

Systemtic Name: 1-(3-fluoranyl-4-phenyl-phenyl)-1-(1,2-oxazol-5-yl)-2-(2-oxidanylidenepropyl)-3-propan-2-yl-guanidine Openeye Name: 2-acetonyl-1-(3-fluoro-4-phenyl-phenyl)-3-isopropyl-1-isoxazol-5-yl-guanidine CAS Name: 1-(3-fluoro-4-phenylphenyl)-1-(5-isoxazolyl)-2-(2-oxopropyl)-3-propan-2-ylguanidine IUPAC Name: 1-(3-fluoro-4-phenylphenyl)-1-(1,2-oxazol-5-yl)-2-(2-oxopropyl)-3-propan-2-ylguanidine Traditional Name: 2-acetonyl-1-(3-fluoro-4-phenyl-phenyl)-3-isopropyl-1-isoxazol-5-yl-guanidine Formula: C22H23FN4O2 MolecularWeight: 394.442023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN4O2/c1-15(2)26-22(24-14-16(3)28)27(21-11-12-25-29-21)18-9-10-19(20(23)13-18)17-7-5-4-6-8-17/h4-13,15H,14H2,1-3H3,(H,24,26)