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

Systemtic Name: 4-[3-[[4-[2-(4-hydroxyphenyl)ethylamino]-6-piperazin-1-yl-1,3,5-triazin-2-yl]-methyl-amino]propyl]benzenecarbonitrile Openeye Name: 4-[3-[[4-[2-(4-hydroxyphenyl)ethylamino]-6-piperazin-1-yl-1,3,5-triazin-2-yl]-methyl-amino]propyl]benzonitrile CAS Name: 4-[3-[[4-[2-(4-hydroxyphenyl)ethylamino]-6-(1-piperazinyl)-1,3,5-triazin-2-yl]-methylamino]propyl]benzonitrile IUPAC Name: 4-[3-[[4-[2-(4-hydroxyphenyl)ethylamino]-6-piperazin-1-yl-1,3,5-triazin-2-yl]-methylamino]propyl]benzonitrile Traditional Name: 4-[3-[[4-[2-(4-hydroxyphenyl)ethylamino]-6-piperazino-s-triazin-2-yl]-methyl-amino]propyl]benzonitrile Formula: C26H32N8O MolecularWeight: 472.58528

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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)N4CCNCC4

Isomeric SMILES

CN(CCCC1=CC=C(C=C1)C#N)C2=NC(=NC(=N2)NCCC3=CC=C(C=C3)O)N4CCNCC4

InChI

InChI=1S/C26H32N8O/c1-33(16-2-3-20-4-6-22(19-27)7-5-20)25-30-24(29-13-12-21-8-10-23(35)11-9-21)31-26(32-25)34-17-14-28-15-18-34/h4-11,28,35H,2-3,12-18H2,1H3,(H,29,30,31,32)