1-(4-tert-butylphenyl)-4-(5-pyridin-4-yl-1,2,3,4-tetrazol-2-yl)butan-1-one

Systemtic Name: 1-(4-tert-butylphenyl)-4-(5-pyridin-4-yl-1,2,3,4-tetrazol-2-yl)butan-1-one Openeye Name: 1-(4-tert-butylphenyl)-4-[5-(4-pyridyl)tetrazol-2-yl]butan-1-one CAS Name: 1-(4-tert-butylphenyl)-4-(5-pyridin-4-yl-2-tetrazolyl)-1-butanone IUPAC Name: 1-(4-tert-butylphenyl)-4-(5-pyridin-4-yltetrazol-2-yl)butan-1-one Traditional Name: 1-(4-tert-butylphenyl)-4-[5-(4-pyridyl)tetrazol-2-yl]butan-1-one Formula: C20H23N5O MolecularWeight: 349.42952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2N=C(N=N2)C3=CC=NC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2N=C(N=N2)C3=CC=NC=C3

InChI

InChI=1S/C20H23N5O/c1-20(2,3)17-8-6-15(7-9-17)18(26)5-4-14-25-23-19(22-24-25)16-10-12-21-13-11-16/h6-13H,4-5,14H2,1-3H3