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

Systemtic Name: 1-[(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl]-1,4-diazepane Openeye Name: 1-[(1-phenyltetrazol-5-yl)methyl]-1,4-diazepane CAS Name: 1-[(1-phenyl-5-tetrazolyl)methyl]-1,4-diazepane IUPAC Name: 1-[(1-phenyltetrazol-5-yl)methyl]-1,4-diazepane Traditional Name: 1-[(1-phenyltetrazol-5-yl)methyl]-1,4-diazepane Formula: C13H18N6 MolecularWeight: 258.32222

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)CC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

C1CNCCN(C1)CC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C13H18N6/c1-2-5-12(6-3-1)19-13(15-16-17-19)11-18-9-4-7-14-8-10-18/h1-3,5-6,14H,4,7-11H2