1-[5-(4-butoxyphenyl)-1,2,3,4-tetrazol-2-yl]propan-2-one

Systemtic Name: 1-[5-(4-butoxyphenyl)-1,2,3,4-tetrazol-2-yl]propan-2-one Openeye Name: 1-[5-(4-butoxyphenyl)tetrazol-2-yl]propan-2-one CAS Name: 1-[5-(4-butoxyphenyl)-2-tetrazolyl]-2-propanone IUPAC Name: 1-[5-(4-butoxyphenyl)tetrazol-2-yl]propan-2-one Traditional Name: 1-[5-(4-butoxyphenyl)tetrazol-2-yl]acetone Formula: C14H18N4O2 MolecularWeight: 274.31832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN(N=N2)CC(=O)C

InChI

InChI=1S/C14H18N4O2/c1-3-4-9-20-13-7-5-12(6-8-13)14-15-17-18(16-14)10-11(2)19/h5-8H,3-4,9-10H2,1-2H3