N-methyl-5,6-diphenyl-pyrazin-2-amine; octanoic acid

Systemtic Name: N-methyl-5,6-diphenyl-pyrazin-2-amine; octanoic acid Openeye Name: N-methyl-5,6-diphenyl-pyrazin-2-amine; octanoic acid CAS Name: N-methyl-5,6-diphenyl-2-pyrazinamine; octanoic acid IUPAC Name: N-methyl-5,6-diphenylpyrazin-2-amine; octanoic acid Traditional Name: caprylic acid; (5,6-diphenylpyrazin-2-yl)-methyl-amine Formula: C25H31N3O2 MolecularWeight: 405.53254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)O.CNC1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCC(=O)O.CNC1=CN=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H15N3.C8H16O2/c1-18-15-12-19-16(13-8-4-2-5-9-13)17(20-15)14-10-6-3-7-11-14;1-2-3-4-5-6-7-8(9)10/h2-12H,1H3,(H,18,20);2-7H2,1H3,(H,9,10)