1-[3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]-3-cyclopentyl-propan-1-one

Systemtic Name: 1-[3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]-3-cyclopentyl-propan-1-one Openeye Name: 1-[3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]-3-cyclopentyl-propan-1-one CAS Name: 1-[3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]-3-cyclopentyl-1-propanone IUPAC Name: 1-[3-butoxy-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]-3-cyclopentylpropan-1-one Traditional Name: 1-[3-butoxy-5-(4-ethylphenyl)-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:

CCCCOC1=NN(C(=N1)C2=CC=C(C=C2)CC)C(=O)CCC3CCCC3

Isomeric SMILES

CCCCOC1=NN(C(=N1)C2=CC=C(C=C2)CC)C(=O)CCC3CCCC3

InChI

InChI=1S/C22H31N3O2/c1-3-5-16-27-22-23-21(19-13-10-17(4-2)11-14-19)25(24-22)20(26)15-12-18-8-6-7-9-18/h10-11,13-14,18H,3-9,12,15-16H2,1-2H3