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

Systemtic Name: 1-[3-butoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]-3-cyclopentyl-propan-1-one Openeye Name: 1-[3-butoxy-5-(p-tolyl)-1,2,4-triazol-1-yl]-3-cyclopentyl-propan-1-one CAS Name: 1-[3-butoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]-3-cyclopentyl-1-propanone IUPAC Name: 1-[3-butoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]-3-cyclopentylpropan-1-one Traditional Name: 1-[3-butoxy-5-(p-tolyl)-1,2,4-triazol-1-yl]-3-cyclopentyl-propan-1-one Formula: C21H29N3O2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O2/c1-3-4-15-26-21-22-20(18-12-9-16(2)10-13-18)24(23-21)19(25)14-11-17-7-5-6-8-17/h9-10,12-13,17H,3-8,11,14-15H2,1-2H3