N'-[3-[1-(3-fluoranyl-4-phenyl-phenyl)ethyl]-1,2-oxazol-5-yl]azepane-1-carboximidamide

Systemtic Name: N'-[3-[1-(3-fluoranyl-4-phenyl-phenyl)ethyl]-1,2-oxazol-5-yl]azepane-1-carboximidamide Openeye Name: N'-[3-[1-(3-fluoro-4-phenyl-phenyl)ethyl]isoxazol-5-yl]azepane-1-carboxamidine CAS Name: N'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-5-isoxazolyl]-1-azepanecarboximidamide IUPAC Name: N'-[3-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,2-oxazol-5-yl]azepane-1-carboximidamide Traditional Name: N'-[3-[1-(3-fluoro-4-phenyl-phenyl)ethyl]isoxazol-5-yl]azepane-1-carboxamidine Formula: C24H27FN4O MolecularWeight: 406.495783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C3=NOC(=C3)N=C(N)N4CCCCCC4

Isomeric SMILES

CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C3=NOC(=C3)/N=C(\N)/N4CCCCCC4

InChI

InChI=1S/C24H27FN4O/c1-17(19-11-12-20(21(25)15-19)18-9-5-4-6-10-18)22-16-23(30-28-22)27-24(26)29-13-7-2-3-8-14-29/h4-6,9-12,15-17H,2-3,7-8,13-14H2,1H3,(H2,26,27)