4-(1,4-diazepan-1-ylmethyl)benzenecarbonitrile dihydrochloride

Systemtic Name: 4-(1,4-diazepan-1-ylmethyl)benzenecarbonitrile dihydrochloride Openeye Name: 4-(1,4-diazepan-1-ylmethyl)benzonitrile dihydrochloride CAS Name: 4-(1,4-diazepan-1-ylmethyl)benzonitrile dihydrochloride IUPAC Name: 4-(1,4-diazepan-1-ylmethyl)benzonitrile dihydrochloride Traditional Name: 4-(1,4-diazepan-1-ylmethyl)benzonitrile dihydrochloride Formula: C13H19Cl2N3 MolecularWeight: 288.21606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3.2ClH/c14-10-12-2-4-13(5-3-12)11-16-8-1-6-15-7-9-16;;/h2-5,15H,1,6-9,11H2;2*1H