N2-cycloheptyl-N4-(3-fluoranyl-4-methoxy-phenyl)-6-indol-1-yl-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-cycloheptyl-N4-(3-fluoranyl-4-methoxy-phenyl)-6-indol-1-yl-1,3,5-triazine-2,4-diamine Openeye Name: N2-cycloheptyl-N4-(3-fluoro-4-methoxy-phenyl)-6-indol-1-yl-1,3,5-triazine-2,4-diamine CAS Name: N2-cycloheptyl-N4-(3-fluoro-4-methoxyphenyl)-6-(1-indolyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-cycloheptyl-4-N-(3-fluoro-4-methoxyphenyl)-6-indol-1-yl-1,3,5-triazine-2,4-diamine Traditional Name: cycloheptyl-[4-(3-fluoro-4-methoxy-anilino)-6-indol-1-yl-s-triazin-2-yl]amine Formula: C25H27FN6O MolecularWeight: 446.519883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N3C=CC4=CC=CC=C43)NC5CCCCCC5)F

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N3C=CC4=CC=CC=C43)NC5CCCCCC5)F

InChI

InChI=1S/C25H27FN6O/c1-33-22-13-12-19(16-20(22)26)28-24-29-23(27-18-9-4-2-3-5-10-18)30-25(31-24)32-15-14-17-8-6-7-11-21(17)32/h6-8,11-16,18H,2-5,9-10H2,1H3,(H2,27,28,29,30,31)