4-[3-[[4-chloranyl-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]-methyl-amino]propyl]benzenecarbonitrile

Systemtic Name: 4-[3-[[4-chloranyl-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]-methyl-amino]propyl]benzenecarbonitrile Openeye Name: 4-[3-[[4-chloro-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]-methyl-amino]propyl]benzonitrile CAS Name: 4-[3-[[4-chloro-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]-methylamino]propyl]benzonitrile IUPAC Name: 4-[3-[[4-chloro-6-[2-(4-hydroxyphenyl)ethylamino]-1,3,5-triazin-2-yl]-methylamino]propyl]benzonitrile Traditional Name: 4-[3-[[4-chloro-6-[2-(4-hydroxyphenyl)ethylamino]-s-triazin-2-yl]-methyl-amino]propyl]benzonitrile Formula: C22H23ClN6O MolecularWeight: 422.91062

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=CC=C(C=C1)C#N)C2=NC(=NC(=N2)NCCC3=CC=C(C=C3)O)Cl

Isomeric SMILES

CN(CCCC1=CC=C(C=C1)C#N)C2=NC(=NC(=N2)NCCC3=CC=C(C=C3)O)Cl

InChI

InChI=1S/C22H23ClN6O/c1-29(14-2-3-16-4-6-18(15-24)7-5-16)22-27-20(23)26-21(28-22)25-13-12-17-8-10-19(30)11-9-17/h4-11,30H,2-3,12-14H2,1H3,(H,25,26,27,28)