1-adamantyl-[5-(4-ethylphenyl)-3-methoxy-1,2,4-triazol-1-yl]methanone

Systemtic Name: 1-adamantyl-[5-(4-ethylphenyl)-3-methoxy-1,2,4-triazol-1-yl]methanone Openeye Name: 1-adamantyl-[5-(4-ethylphenyl)-3-methoxy-1,2,4-triazol-1-yl]methanone CAS Name: 1-adamantyl-[5-(4-ethylphenyl)-3-methoxy-1,2,4-triazol-1-yl]methanone IUPAC Name: 1-adamantyl-[5-(4-ethylphenyl)-3-methoxy-1,2,4-triazol-1-yl]methanone Traditional Name: 1-adamantyl-[5-(4-ethylphenyl)-3-methoxy-1,2,4-triazol-1-yl]methanone Formula: C22H27N3O2 MolecularWeight: 365.46868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NN2C(=O)C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NN2C(=O)C34CC5CC(C3)CC(C5)C4)OC

InChI

InChI=1S/C22H27N3O2/c1-3-14-4-6-18(7-5-14)19-23-21(27-2)24-25(19)20(26)22-11-15-8-16(12-22)10-17(9-15)13-22/h4-7,15-17H,3,8-13H2,1-2H3