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

Systemtic Name: 3-[azepan-1-yl-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]methyl]benzenecarbonitrile Openeye Name: 3-[azepan-1-yl-(1-benzyltetrazol-5-yl)methyl]benzonitrile CAS Name: 3-[1-azepanyl-[1-(phenylmethyl)-5-tetrazolyl]methyl]benzonitrile IUPAC Name: 3-[azepan-1-yl-(1-benzyltetrazol-5-yl)methyl]benzonitrile Traditional Name: 3-[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=CC(=C2)C#N)C3=NN=NN3CC4=CC=CC=C4

Isomeric SMILES

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

InChI

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