2-[4-(4-chlorophenyl)piperazin-1-yl]-4-(2-phenylethynyl)-6-piperazin-1-yl-1,3,5-triazine

Systemtic Name: 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-(2-phenylethynyl)-6-piperazin-1-yl-1,3,5-triazine Openeye Name: 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-(2-phenylethynyl)-6-piperazin-1-yl-1,3,5-triazine CAS Name: 2-[4-(4-chlorophenyl)-1-piperazinyl]-4-(2-phenylethynyl)-6-(1-piperazinyl)-1,3,5-triazine IUPAC Name: 2-[4-(4-chlorophenyl)piperazin-1-yl]-4-(2-phenylethynyl)-6-piperazin-1-yl-1,3,5-triazine Traditional Name: 2-[4-(4-chlorophenyl)piperazino]-4-(2-phenylethynyl)-6-piperazino-s-triazine Formula: C25H26ClN7 MolecularWeight: 459.97384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC(=NC(=N2)C#CC3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN1)C2=NC(=NC(=N2)C#CC3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H26ClN7/c26-21-7-9-22(10-8-21)31-16-18-33(19-17-31)25-29-23(11-6-20-4-2-1-3-5-20)28-24(30-25)32-14-12-27-13-15-32/h1-5,7-10,27H,12-19H2