1-adamantyl-[5-(3,4-dichlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone

Systemtic Name: 1-adamantyl-[5-(3,4-dichlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone Openeye Name: 1-adamantyl-[5-(3,4-dichlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone CAS Name: 1-adamantyl-[5-(3,4-dichlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone IUPAC Name: 1-adamantyl-[5-(3,4-dichlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone Traditional Name: 1-adamantyl-[5-(3,4-dichlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone Formula: C21H23Cl2N3O2 MolecularWeight: 420.33222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=N1)C2=CC(=C(C=C2)Cl)Cl)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC1=NN(C(=N1)C2=CC(=C(C=C2)Cl)Cl)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H23Cl2N3O2/c1-2-28-20-24-18(15-3-4-16(22)17(23)8-15)26(25-20)19(27)21-9-12-5-13(10-21)7-14(6-12)11-21/h3-4,8,12-14H,2,5-7,9-11H2,1H3