1-adamantyl-[5-(3-chlorophenyl)-3-(2-ethoxyethoxy)-1,2,4-triazol-1-yl]methanone

Systemtic Name: 1-adamantyl-[5-(3-chlorophenyl)-3-(2-ethoxyethoxy)-1,2,4-triazol-1-yl]methanone Openeye Name: 1-adamantyl-[5-(3-chlorophenyl)-3-(2-ethoxyethoxy)-1,2,4-triazol-1-yl]methanone CAS Name: 1-adamantyl-[5-(3-chlorophenyl)-3-(2-ethoxyethoxy)-1,2,4-triazol-1-yl]methanone IUPAC Name: 1-adamantyl-[5-(3-chlorophenyl)-3-(2-ethoxyethoxy)-1,2,4-triazol-1-yl]methanone Traditional Name: 1-adamantyl-[5-(3-chlorophenyl)-3-(2-ethoxyethoxy)-1,2,4-triazol-1-yl]methanone Formula: C23H28ClN3O3 MolecularWeight: 429.93972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC1=NN(C(=N1)C2=CC(=CC=C2)Cl)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOCCOC1=NN(C(=N1)C2=CC(=CC=C2)Cl)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H28ClN3O3/c1-2-29-6-7-30-22-25-20(18-4-3-5-19(24)11-18)27(26-22)21(28)23-12-15-8-16(13-23)10-17(9-15)14-23/h3-5,11,15-17H,2,6-10,12-14H2,1H3