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

Systemtic Name: N2-(3-chloranyl-4-methoxy-phenyl)-N6-cycloheptyl-N4-piperidin-1-yl-1,3,5-triazine-2,4,6-triamine Openeye Name: N2-(3-chloro-4-methoxy-phenyl)-N6-cycloheptyl-N4-(1-piperidyl)-1,3,5-triazine-2,4,6-triamine CAS Name: N2-(3-chloro-4-methoxyphenyl)-N6-cycloheptyl-N4-(1-piperidinyl)-1,3,5-triazine-2,4,6-triamine IUPAC Name: 2-N-(3-chloro-4-methoxyphenyl)-6-N-cycloheptyl-4-N-piperidin-1-yl-1,3,5-triazine-2,4,6-triamine Traditional Name: [4-(3-chloro-4-methoxy-anilino)-6-(cycloheptylamino)-s-triazin-2-yl]-piperidino-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)NN3CCCCC3)NC4CCCCCC4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NN3CCCCC3)NC4CCCCCC4)Cl

InChI

InChI=1S/C22H32ClN7O/c1-31-19-12-11-17(15-18(19)23)25-21-26-20(24-16-9-5-2-3-6-10-16)27-22(28-21)29-30-13-7-4-8-14-30/h11-12,15-16H,2-10,13-14H2,1H3,(H3,24,25,26,27,28,29)