1-[5-(4-tert-butylphenyl)-3-ethoxy-1,2,4-triazol-1-yl]-3-cyclopentyl-propan-1-one

Systemtic Name: 1-[5-(4-tert-butylphenyl)-3-ethoxy-1,2,4-triazol-1-yl]-3-cyclopentyl-propan-1-one Openeye Name: 1-[5-(4-tert-butylphenyl)-3-ethoxy-1,2,4-triazol-1-yl]-3-cyclopentyl-propan-1-one CAS Name: 1-[5-(4-tert-butylphenyl)-3-ethoxy-1,2,4-triazol-1-yl]-3-cyclopentyl-1-propanone IUPAC Name: 1-[5-(4-tert-butylphenyl)-3-ethoxy-1,2,4-triazol-1-yl]-3-cyclopentylpropan-1-one Traditional Name: 1-[5-(4-tert-butylphenyl)-3-ethoxy-1,2,4-triazol-1-yl]-3-cyclopentyl-propan-1-one Formula: C22H31N3O2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=N1)C2=CC=C(C=C2)C(C)(C)C)C(=O)CCC3CCCC3

Isomeric SMILES

CCOC1=NN(C(=N1)C2=CC=C(C=C2)C(C)(C)C)C(=O)CCC3CCCC3

InChI

InChI=1S/C22H31N3O2/c1-5-27-21-23-20(17-11-13-18(14-12-17)22(2,3)4)25(24-21)19(26)15-10-16-8-6-7-9-16/h11-14,16H,5-10,15H2,1-4H3