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

Systemtic Name: ethyl 1-(6-cyclohexyl-2-methyl-quinolin-4-yl)-5-(4-nitrophenyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-(6-cyclohexyl-2-methyl-4-quinolyl)-5-(4-nitrophenyl)triazole-4-carboxylate CAS Name: 1-(6-cyclohexyl-2-methyl-4-quinolinyl)-5-(4-nitrophenyl)-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(6-cyclohexyl-2-methylquinolin-4-yl)-5-(4-nitrophenyl)triazole-4-carboxylate Traditional Name: 1-(6-cyclohexyl-2-methyl-4-quinolyl)-5-(4-nitrophenyl)triazole-4-carboxylic acid ethyl ester Formula: C27H27N5O4 MolecularWeight: 485.53438

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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=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C27H27N5O4/c1-3-36-27(33)25-26(19-9-12-21(13-10-19)32(34)35)31(30-29-25)24-15-17(2)28-23-14-11-20(16-22(23)24)18-7-5-4-6-8-18/h9-16,18H,3-8H2,1-2H3