3-[azepan-1-yl-(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)methyl]benzenecarbonitrile hydrochloride

Systemtic Name: 3-[azepan-1-yl-(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)methyl]benzenecarbonitrile hydrochloride Openeye Name: 3-[azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]benzonitrile hydrochloride CAS Name: 3-[1-azepanyl-(1-cyclopentyl-5-tetrazolyl)methyl]benzonitrile hydrochloride IUPAC Name: 3-[azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]benzonitrile hydrochloride Traditional Name: 3-[azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]benzonitrile hydrochloride Formula: C20H27ClN6 MolecularWeight: 386.92158

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(C2=CC=CC(=C2)C#N)C3=NN=NN3C4CCCC4.Cl

Isomeric SMILES

C1CCCN(CC1)C(C2=CC=CC(=C2)C#N)C3=NN=NN3C4CCCC4.Cl

InChI

InChI=1S/C20H26N6.ClH/c21-15-16-8-7-9-17(14-16)19(25-12-5-1-2-6-13-25)20-22-23-24-26(20)18-10-3-4-11-18;/h7-9,14,18-19H,1-6,10-13H2;1H