N'-[N-(4-fluorophenyl)-C-(2-methylphenyl)carbonimidoyl]-N-phenyl-adamantane-1-carboximidamide

Systemtic Name: N'-[N-(4-fluorophenyl)-C-(2-methylphenyl)carbonimidoyl]-N-phenyl-adamantane-1-carboximidamide Openeye Name: N'-[N-(4-fluorophenyl)-C-(o-tolyl)carbonimidoyl]-N-phenyl-adamantane-1-carboxamidine CAS Name: N'-[(4-fluorophenyl)imino-(2-methylphenyl)methyl]-N-phenyl-1-adamantanecarboximidamide IUPAC Name: N'-[N-(4-fluorophenyl)-C-(2-methylphenyl)carbonimidoyl]-N-phenyladamantane-1-carboximidamide Traditional Name: N'-[N-(4-fluorophenyl)-C-(o-tolyl)carbonimidoyl]-N-phenyl-adamantane-1-carboxamidine Formula: C31H32FN3 MolecularWeight: 465.604283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=NC2=CC=C(C=C2)F)N=C(C34CC5CC(C3)CC(C5)C4)NC6=CC=CC=C6

Isomeric SMILES

CC1=CC=CC=C1C(=NC2=CC=C(C=C2)F)N=C(C34CC5CC(C3)CC(C5)C4)NC6=CC=CC=C6

InChI

InChI=1S/C31H32FN3/c1-21-7-5-6-10-28(21)29(33-27-13-11-25(32)12-14-27)35-30(34-26-8-3-2-4-9-26)31-18-22-15-23(19-31)17-24(16-22)20-31/h2-14,22-24H,15-20H2,1H3,(H,33,34,35)