ethyl 5-methyl-3-[4-(2-phenylimidazol-1-yl)butyl]-1,2,4-triazine-6-carboxylate

Systemtic Name: ethyl 5-methyl-3-[4-(2-phenylimidazol-1-yl)butyl]-1,2,4-triazine-6-carboxylate Openeye Name: ethyl 5-methyl-3-[4-(2-phenylimidazol-1-yl)butyl]-1,2,4-triazine-6-carboxylate CAS Name: 5-methyl-3-[4-(2-phenyl-1-imidazolyl)butyl]-1,2,4-triazine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-3-[4-(2-phenylimidazol-1-yl)butyl]-1,2,4-triazine-6-carboxylate Traditional Name: 5-methyl-3-[4-(2-phenylimidazol-1-yl)butyl]-1,2,4-triazine-6-carboxylic acid ethyl ester Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O2/c1-3-27-20(26)18-15(2)22-17(23-24-18)11-7-8-13-25-14-12-21-19(25)16-9-5-4-6-10-16/h4-6,9-10,12,14H,3,7-8,11,13H2,1-2H3