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

Systemtic Name: 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]azepane Openeye Name: 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]azepane CAS Name: 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]azepane IUPAC Name: 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]azepane Traditional Name: 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]azepane Formula: C15H17ClN4 MolecularWeight: 288.77528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC(=CN=N2)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCCN(CC1)C2=NC(=CN=N2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H17ClN4/c16-13-7-5-12(6-8-13)14-11-17-19-15(18-14)20-9-3-1-2-4-10-20/h5-8,11H,1-4,9-10H2