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

Systemtic Name: N4-(3-chloranyl-4-phenylmethoxy-phenyl)-N2-cycloheptyl-N6-methyl-N2-piperidin-4-yl-1,3,5-triazine-2,4,6-triamine Openeye Name: N4-(4-benzyloxy-3-chloro-phenyl)-N2-cycloheptyl-N6-methyl-N2-(4-piperidyl)-1,3,5-triazine-2,4,6-triamine CAS Name: N4-(3-chloro-4-phenylmethoxyphenyl)-N2-cycloheptyl-N6-methyl-N2-(4-piperidinyl)-1,3,5-triazine-2,4,6-triamine IUPAC Name: 4-N-(3-chloro-4-phenylmethoxyphenyl)-2-N-cycloheptyl-6-N-methyl-2-N-piperidin-4-yl-1,3,5-triazine-2,4,6-triamine Traditional Name: [4-(4-benzoxy-3-chloro-anilino)-6-(methylamino)-s-triazin-2-yl]-cycloheptyl-(4-piperidyl)amine Formula: C29H38ClN7O MolecularWeight: 536.11132

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC(=N1)NC2=CC(=C(C=C2)OCC3=CC=CC=C3)Cl)N(C4CCCCCC4)C5CCNCC5

Isomeric SMILES

CNC1=NC(=NC(=N1)NC2=CC(=C(C=C2)OCC3=CC=CC=C3)Cl)N(C4CCCCCC4)C5CCNCC5

InChI

InChI=1S/C29H38ClN7O/c1-31-27-34-28(33-22-13-14-26(25(30)19-22)38-20-21-9-5-4-6-10-21)36-29(35-27)37(24-15-17-32-18-16-24)23-11-7-2-3-8-12-23/h4-6,9-10,13-14,19,23-24,32H,2-3,7-8,11-12,15-18,20H2,1H3,(H2,31,33,34,35,36)