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

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

Systemtic Name:4-[azepan-1-yl-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]benzenecarbonitrile
Openeye Name:4-[azepan-1-yl-(1-benzyltetrazol-5-yl)methyl]benzonitrile
CAS Name:4-[1-azepanyl-[1-(phenylmethyl)-5-tetrazolyl]methyl]benzonitrile
IUPAC Name:4-[azepan-1-yl-(1-benzyltetrazol-5-yl)methyl]benzonitrile
Traditional Name:4-[azepan-1-yl-(1-benzyltetrazol-5-yl)methyl]benzonitrile
Formula: C22H24N6
MolecularWeight: 372.46616
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(C2=CC=C(C=C2)C#N)C3=NN=NN3CC4=CC=CC=C4


Isomeric SMILES

C1CCCN(CC1)C(C2=CC=C(C=C2)C#N)C3=NN=NN3CC4=CC=CC=C4


InChI

InChI=1S/C22H24N6/c23-16-18-10-12-20(13-11-18)21(27-14-6-1-2-7-15-27)22-24-25-26-28(22)17-19-8-4-3-5-9-19/h3-5,8-13,21H,1-2,6-7,14-15,17H2


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