N-(4-bromophenyl)-4-[4-(3-chlorophenyl)piperazin-1-yl]-6-prop-2-ynoxy-1,3,5-triazin-2-amine

Systemtic Name: N-(4-bromophenyl)-4-[4-(3-chlorophenyl)piperazin-1-yl]-6-prop-2-ynoxy-1,3,5-triazin-2-amine Openeye Name: N-(4-bromophenyl)-4-[4-(3-chlorophenyl)piperazin-1-yl]-6-prop-2-ynoxy-1,3,5-triazin-2-amine CAS Name: N-(4-bromophenyl)-4-[4-(3-chlorophenyl)-1-piperazinyl]-6-prop-2-ynoxy-1,3,5-triazin-2-amine IUPAC Name: N-(4-bromophenyl)-4-[4-(3-chlorophenyl)piperazin-1-yl]-6-prop-2-ynoxy-1,3,5-triazin-2-amine Traditional Name: (4-bromophenyl)-[4-[4-(3-chlorophenyl)piperazino]-6-propargyloxy-s-triazin-2-yl]amine Formula: C22H20BrClN6O MolecularWeight: 499.7908

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=NC(=NC(=N1)NC2=CC=C(C=C2)Br)N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

C#CCOC1=NC(=NC(=N1)NC2=CC=C(C=C2)Br)N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H20BrClN6O/c1-2-14-31-22-27-20(25-18-8-6-16(23)7-9-18)26-21(28-22)30-12-10-29(11-13-30)19-5-3-4-17(24)15-19/h1,3-9,15H,10-14H2,(H,25,26,27,28)