1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]azocane

Systemtic Name: 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]azocane Openeye Name: 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]azocane CAS Name: 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]azocane IUPAC Name: 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]azocane Traditional Name: 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]azocane Formula: C16H19ClN4 MolecularWeight: 302.80186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C2=NC(=CN=N2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCCN(CCC1)C2=NC(=CN=N2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H19ClN4/c17-14-8-6-13(7-9-14)15-12-18-20-16(19-15)21-10-4-2-1-3-5-11-21/h6-9,12H,1-5,10-11H2