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

Systemtic Name: N2-(3-chloranyl-4-methoxy-phenyl)-N6-cycloheptyl-N4-piperidin-4-yl-1,3,5-triazine-2,4,6-triamine Openeye Name: N2-(3-chloro-4-methoxy-phenyl)-N6-cycloheptyl-N4-(4-piperidyl)-1,3,5-triazine-2,4,6-triamine CAS Name: N2-(3-chloro-4-methoxyphenyl)-N6-cycloheptyl-N4-(4-piperidinyl)-1,3,5-triazine-2,4,6-triamine IUPAC Name: 2-N-(3-chloro-4-methoxyphenyl)-6-N-cycloheptyl-4-N-piperidin-4-yl-1,3,5-triazine-2,4,6-triamine Traditional Name: [4-(3-chloro-4-methoxy-anilino)-6-(cycloheptylamino)-s-triazin-2-yl]-(4-piperidyl)amine Formula: C22H32ClN7O MolecularWeight: 445.98878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NC3CCNCC3)NC4CCCCCC4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NC3CCNCC3)NC4CCCCCC4)Cl

InChI

InChI=1S/C22H32ClN7O/c1-31-19-9-8-17(14-18(19)23)27-22-29-20(25-15-6-4-2-3-5-7-15)28-21(30-22)26-16-10-12-24-13-11-16/h8-9,14-16,24H,2-7,10-13H2,1H3,(H3,25,26,27,28,29,30)