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

Systemtic Name: diethyl 3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine-5,6-dicarboxylate Openeye Name: diethyl 3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine-5,6-dicarboxylate CAS Name: 3-[3-(2-phenyl-1-imidazolyl)propyl]-1,2,4-triazine-5,6-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine-5,6-dicarboxylate Traditional Name: 3-[3-(2-phenylimidazol-1-yl)propyl]-1,2,4-triazine-5,6-dicarboxylic acid diethyl ester Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=NC(=N1)CCCN2C=CN=C2C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N=NC(=N1)CCCN2C=CN=C2C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C21H23N5O4/c1-3-29-20(27)17-18(21(28)30-4-2)25-24-16(23-17)11-8-13-26-14-12-22-19(26)15-9-6-5-7-10-15/h5-7,9-10,12,14H,3-4,8,11,13H2,1-2H3