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

Systemtic Name: N'-[3-[2-(3-fluoranyl-4-phenyl-phenyl)propan-2-yl]-1,2-oxazol-5-yl]azepane-1-carboximidamide Openeye Name: N'-[3-[1-(3-fluoro-4-phenyl-phenyl)-1-methyl-ethyl]isoxazol-5-yl]azepane-1-carboxamidine CAS Name: N'-[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-5-isoxazolyl]-1-azepanecarboximidamide IUPAC Name: N'-[3-[2-(3-fluoro-4-phenylphenyl)propan-2-yl]-1,2-oxazol-5-yl]azepane-1-carboximidamide Traditional Name: N'-[3-[1-(3-fluoro-4-phenyl-phenyl)-1-methyl-ethyl]isoxazol-5-yl]azepane-1-carboxamidine Formula: C25H29FN4O MolecularWeight: 420.522363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29FN4O/c1-25(2,19-12-13-20(21(26)16-19)18-10-6-5-7-11-18)22-17-23(31-29-22)28-24(27)30-14-8-3-4-9-15-30/h5-7,10-13,16-17H,3-4,8-9,14-15H2,1-2H3,(H2,27,28)