3-(1,4-diazepan-1-ylmethyl)benzenecarbonitrile hydrobromide

Systemtic Name: 3-(1,4-diazepan-1-ylmethyl)benzenecarbonitrile hydrobromide Openeye Name: 3-(1,4-diazepan-1-ylmethyl)benzonitrile hydrobromide CAS Name: 3-(1,4-diazepan-1-ylmethyl)benzonitrile hydrobromide IUPAC Name: 3-(1,4-diazepan-1-ylmethyl)benzonitrile hydrobromide Traditional Name: 3-(1,4-diazepan-1-ylmethyl)benzonitrile hydrobromide Formula: C13H18BrN3 MolecularWeight: 296.20612

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)CC2=CC=CC(=C2)C#N.Br

Isomeric SMILES

C1CNCCN(C1)CC2=CC=CC(=C2)C#N.Br

InChI

InChI=1S/C13H17N3.BrH/c14-10-12-3-1-4-13(9-12)11-16-7-2-5-15-6-8-16;/h1,3-4,9,15H,2,5-8,11H2;1H