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

Systemtic Name: 1-adamantyl-[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]methanone Openeye Name: 1-adamantyl-[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]methanone CAS Name: 1-adamantyl-[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]methanone IUPAC Name: 1-adamantyl-[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]methanone Traditional Name: 1-adamantyl-[5-(3-chlorophenyl)-3-propoxy-1,2,4-triazol-1-yl]methanone Formula: C22H26ClN3O2 MolecularWeight: 399.91374

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NN(C(=N1)C2=CC(=CC=C2)Cl)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCOC1=NN(C(=N1)C2=CC(=CC=C2)Cl)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H26ClN3O2/c1-2-6-28-21-24-19(17-4-3-5-18(23)10-17)26(25-21)20(27)22-11-14-7-15(12-22)9-16(8-14)13-22/h3-5,10,14-16H,2,6-9,11-13H2,1H3