N4-cycloheptyl-N6-(3-fluoranyl-4-propoxy-phenyl)-N2-methyl-N2-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine

Systemtic Name: N4-cycloheptyl-N6-(3-fluoranyl-4-propoxy-phenyl)-N2-methyl-N2-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine Openeye Name: N4-cycloheptyl-N6-(3-fluoro-4-propoxy-phenyl)-N2-methyl-N2-(1-methyl-4-piperidyl)-1,3,5-triazine-2,4,6-triamine CAS Name: N4-cycloheptyl-N6-(3-fluoro-4-propoxyphenyl)-N2-methyl-N2-(1-methyl-4-piperidinyl)-1,3,5-triazine-2,4,6-triamine IUPAC Name: 4-N-cycloheptyl-6-N-(3-fluoro-4-propoxyphenyl)-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine Traditional Name: [4-(cycloheptylamino)-6-(3-fluoro-4-propoxy-anilino)-s-triazin-2-yl]-methyl-(1-methyl-4-piperidyl)amine Formula: C26H40FN7O MolecularWeight: 485.640503

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N(C)C3CCN(CC3)C)NC4CCCCCC4)F

Isomeric SMILES

CCCOC1=C(C=C(C=C1)NC2=NC(=NC(=N2)N(C)C3CCN(CC3)C)NC4CCCCCC4)F

InChI

InChI=1S/C26H40FN7O/c1-4-17-35-23-12-11-20(18-22(23)27)29-25-30-24(28-19-9-7-5-6-8-10-19)31-26(32-25)34(3)21-13-15-33(2)16-14-21/h11-12,18-19,21H,4-10,13-17H2,1-3H3,(H2,28,29,30,31,32)