ethyl 1-(6-cyclohexyl-2-methyl-quinolin-4-yl)-5-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-(6-cyclohexyl-2-methyl-quinolin-4-yl)-5-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-(6-cyclohexyl-2-methyl-4-quinolyl)-5-phenyl-triazole-4-carboxylate CAS Name: 1-(6-cyclohexyl-2-methyl-4-quinolinyl)-5-phenyl-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(6-cyclohexyl-2-methylquinolin-4-yl)-5-phenyltriazole-4-carboxylate Traditional Name: 1-(6-cyclohexyl-2-methyl-4-quinolyl)-5-phenyl-triazole-4-carboxylic acid ethyl ester Formula: C27H28N4O2 MolecularWeight: 440.53682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)C2=CC(=NC3=C2C=C(C=C3)C4CCCCC4)C)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)C2=CC(=NC3=C2C=C(C=C3)C4CCCCC4)C)C5=CC=CC=C5

InChI

InChI=1S/C27H28N4O2/c1-3-33-27(32)25-26(20-12-8-5-9-13-20)31(30-29-25)24-16-18(2)28-23-15-14-21(17-22(23)24)19-10-6-4-7-11-19/h5,8-9,12-17,19H,3-4,6-7,10-11H2,1-2H3