N4-(3-chloranyl-4-methoxy-phenyl)-N2-cycloheptyl-6-(pyrrolidin-2-ylmethoxy)-1,3,5-triazine-2,4-diamine

Systemtic Name: N4-(3-chloranyl-4-methoxy-phenyl)-N2-cycloheptyl-6-(pyrrolidin-2-ylmethoxy)-1,3,5-triazine-2,4-diamine Openeye Name: N4-(3-chloro-4-methoxy-phenyl)-N2-cycloheptyl-6-(pyrrolidin-2-ylmethoxy)-1,3,5-triazine-2,4-diamine CAS Name: N4-(3-chloro-4-methoxyphenyl)-N2-cycloheptyl-6-(2-pyrrolidinylmethoxy)-1,3,5-triazine-2,4-diamine IUPAC Name: 4-N-(3-chloro-4-methoxyphenyl)-2-N-cycloheptyl-6-(pyrrolidin-2-ylmethoxy)-1,3,5-triazine-2,4-diamine Traditional Name: [4-(3-chloro-4-methoxy-anilino)-6-(pyrrolidin-2-ylmethoxy)-s-triazin-2-yl]-cycloheptyl-amine Formula: C22H31ClN6O2 MolecularWeight: 446.97354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)OCC3CCCN3)NC4CCCCCC4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)OCC3CCCN3)NC4CCCCCC4)Cl

InChI

InChI=1S/C22H31ClN6O2/c1-30-19-11-10-16(13-18(19)23)26-21-27-20(25-15-7-4-2-3-5-8-15)28-22(29-21)31-14-17-9-6-12-24-17/h10-11,13,15,17,24H,2-9,12,14H2,1H3,(H2,25,26,27,28,29)