diethyl 3-[4-(2-phenylimidazol-1-yl)butyl]-1,2,4-triazine-5,6-dicarboxylate

Systemtic Name: diethyl 3-[4-(2-phenylimidazol-1-yl)butyl]-1,2,4-triazine-5,6-dicarboxylate Openeye Name: diethyl 3-[4-(2-phenylimidazol-1-yl)butyl]-1,2,4-triazine-5,6-dicarboxylate CAS Name: 3-[4-(2-phenyl-1-imidazolyl)butyl]-1,2,4-triazine-5,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-[4-(2-phenylimidazol-1-yl)butyl]-1,2,4-triazine-5,6-dicarboxylate Traditional Name: 3-[4-(2-phenylimidazol-1-yl)butyl]-1,2,4-triazine-5,6-dicarboxylic acid diethyl ester Formula: C22H25N5O4 MolecularWeight: 423.465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=NC(=N1)CCCCN2C=CN=C2C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N=NC(=N1)CCCCN2C=CN=C2C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C22H25N5O4/c1-3-30-21(28)18-19(22(29)31-4-2)26-25-17(24-18)12-8-9-14-27-15-13-23-20(27)16-10-6-5-7-11-16/h5-7,10-11,13,15H,3-4,8-9,12,14H2,1-2H3