ethyl 1-(6-cyclohexylquinolin-4-yl)-5-(4-nitrophenyl)-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-(6-cyclohexylquinolin-4-yl)-5-(4-nitrophenyl)-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 1-(6-cyclohexyl-4-quinolyl)-5-(4-nitrophenyl)triazole-4-carboxylate CAS Name: 1-(6-cyclohexyl-4-quinolinyl)-5-(4-nitrophenyl)-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(6-cyclohexylquinolin-4-yl)-5-(4-nitrophenyl)triazole-4-carboxylate Traditional Name: 1-(6-cyclohexyl-4-quinolyl)-5-(4-nitrophenyl)triazole-4-carboxylic acid ethyl ester Formula: C26H25N5O4 MolecularWeight: 471.5078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)C2=C3C=C(C=CC3=NC=C2)C4CCCCC4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)C2=C3C=C(C=CC3=NC=C2)C4CCCCC4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H25N5O4/c1-2-35-26(32)24-25(18-8-11-20(12-9-18)31(33)34)30(29-28-24)23-14-15-27-22-13-10-19(16-21(22)23)17-6-4-3-5-7-17/h8-17H,2-7H2,1H3