N2-cycloheptyl-N4-(3-fluoranyl-4-methoxy-phenyl)-N6-(piperidin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine

Systemtic Name: N2-cycloheptyl-N4-(3-fluoranyl-4-methoxy-phenyl)-N6-(piperidin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine Openeye Name: N2-cycloheptyl-N4-(3-fluoro-4-methoxy-phenyl)-N6-(4-piperidylmethyl)-1,3,5-triazine-2,4,6-triamine CAS Name: N2-cycloheptyl-N4-(3-fluoro-4-methoxyphenyl)-N6-(4-piperidinylmethyl)-1,3,5-triazine-2,4,6-triamine IUPAC Name: 2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-6-N-(piperidin-4-ylmethyl)-1,3,5-triazine-2,4,6-triamine Traditional Name: cycloheptyl-[4-(3-fluoro-4-methoxy-anilino)-6-(4-piperidylmethylamino)-s-triazin-2-yl]amine Formula: C23H34FN7O MolecularWeight: 443.560763

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NCC3CCNCC3)NC4CCCCCC4)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NCC3CCNCC3)NC4CCCCCC4)F

InChI

InChI=1S/C23H34FN7O/c1-32-20-9-8-18(14-19(20)24)28-23-30-21(26-15-16-10-12-25-13-11-16)29-22(31-23)27-17-6-4-2-3-5-7-17/h8-9,14,16-17,25H,2-7,10-13,15H2,1H3,(H3,26,27,28,29,30,31)