1,4-diazepan-1-yl-[4-(1,2,3,4-tetrazol-1-yl)phenyl]methanone

Systemtic Name: 1,4-diazepan-1-yl-[4-(1,2,3,4-tetrazol-1-yl)phenyl]methanone Openeye Name: 1,4-diazepan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone CAS Name: 1,4-diazepan-1-yl-[4-(1-tetrazolyl)phenyl]methanone IUPAC Name: 1,4-diazepan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone Traditional Name: 1,4-diazepan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone Formula: C13H16N6O MolecularWeight: 272.30574

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)C2=CC=C(C=C2)N3C=NN=N3

Isomeric SMILES

C1CNCCN(C1)C(=O)C2=CC=C(C=C2)N3C=NN=N3

InChI

InChI=1S/C13H16N6O/c20-13(18-8-1-6-14-7-9-18)11-2-4-12(5-3-11)19-10-15-16-17-19/h2-5,10,14H,1,6-9H2