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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCNCC1)C2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC(=C(C=C4)OCC5=CC=CC=C5)Cl

Isomeric SMILES

CN(C1CCNCC1)C2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC(=C(C=C4)OCC5=CC=CC=C5)Cl

InChI

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