3-(2-methylphenyl)-4-(pyridin-4-ylmethoxy)-2-(2H-1,2,3,4-tetrazol-5-ylmethoxy)benzenecarbonitrile

Systemtic Name: 3-(2-methylphenyl)-4-(pyridin-4-ylmethoxy)-2-(2H-1,2,3,4-tetrazol-5-ylmethoxy)benzenecarbonitrile Openeye Name: 3-(o-tolyl)-4-(4-pyridylmethoxy)-2-(2H-tetrazol-5-ylmethoxy)benzonitrile CAS Name: 3-(2-methylphenyl)-4-(pyridin-4-ylmethoxy)-2-(2H-tetrazol-5-ylmethoxy)benzonitrile IUPAC Name: 3-(2-methylphenyl)-4-(pyridin-4-ylmethoxy)-2-(2H-tetrazol-5-ylmethoxy)benzonitrile Traditional Name: 3-(o-tolyl)-4-(4-pyridylmethoxy)-2-(2H-tetrazol-5-ylmethoxy)benzonitrile Formula: C22H18N6O2 MolecularWeight: 398.41732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2OCC3=NNN=N3)C#N)OCC4=CC=NC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2OCC3=NNN=N3)C#N)OCC4=CC=NC=C4

InChI

InChI=1S/C22H18N6O2/c1-15-4-2-3-5-18(15)21-19(29-13-16-8-10-24-11-9-16)7-6-17(12-23)22(21)30-14-20-25-27-28-26-20/h2-11H,13-14H2,1H3,(H,25,26,27,28)