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

Systemtic Name: 1-adamantyl-[5-(2-methylphenyl)-3-propoxy-1,2,4-triazol-1-yl]methanone Openeye Name: 1-adamantyl-[5-(o-tolyl)-3-propoxy-1,2,4-triazol-1-yl]methanone CAS Name: 1-adamantyl-[5-(2-methylphenyl)-3-propoxy-1,2,4-triazol-1-yl]methanone IUPAC Name: 1-adamantyl-[5-(2-methylphenyl)-3-propoxy-1,2,4-triazol-1-yl]methanone Traditional Name: 1-adamantyl-[5-(o-tolyl)-3-propoxy-1,2,4-triazol-1-yl]methanone Formula: C23H29N3O2 MolecularWeight: 379.49526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NN(C(=N1)C2=CC=CC=C2C)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCOC1=NN(C(=N1)C2=CC=CC=C2C)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H29N3O2/c1-3-8-28-22-24-20(19-7-5-4-6-15(19)2)26(25-22)21(27)23-12-16-9-17(13-23)11-18(10-16)14-23/h4-7,16-18H,3,8-14H2,1-2H3