1-(1-phenyl-1,2,3,4-tetrazol-5-yl)-1,4-diazepane

Systemtic Name: 1-(1-phenyl-1,2,3,4-tetrazol-5-yl)-1,4-diazepane Openeye Name: 1-(1-phenyltetrazol-5-yl)-1,4-diazepane CAS Name: 1-(1-phenyl-5-tetrazolyl)-1,4-diazepane IUPAC Name: 1-(1-phenyltetrazol-5-yl)-1,4-diazepane Traditional Name: 1-(1-phenyltetrazol-5-yl)-1,4-diazepane Formula: C12H16N6 MolecularWeight: 244.29564

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

C1CNCCN(C1)C2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C12H16N6/c1-2-5-11(6-3-1)18-12(14-15-16-18)17-9-4-7-13-8-10-17/h1-3,5-6,13H,4,7-10H2