2-[4-[(5-tert-butyl-1,2,3,4-tetrazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[(5-tert-butyl-1,2,3,4-tetrazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[(5-tert-butyltetrazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(5-tert-butyl-1-tetrazolyl)methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[(5-tert-butyltetrazol-1-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[(5-tert-butyltetrazol-1-yl)methyl]piperazino]isonicotinonitrile Formula: C16H22N8 MolecularWeight: 326.39948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=NN1CN2CCN(CC2)C3=NC=CC(=C3)C#N

Isomeric SMILES

CC(C)(C)C1=NN=NN1CN2CCN(CC2)C3=NC=CC(=C3)C#N

InChI

InChI=1S/C16H22N8/c1-16(2,3)15-19-20-21-24(15)12-22-6-8-23(9-7-22)14-10-13(11-17)4-5-18-14/h4-5,10H,6-9,12H2,1-3H3