5-[[3-(methoxymethyl)-5-propyl-1,2,4-triazol-4-yl]methyl]-2-phenyl-benzenecarbonitrile

Systemtic Name: 5-[[3-(methoxymethyl)-5-propyl-1,2,4-triazol-4-yl]methyl]-2-phenyl-benzenecarbonitrile Openeye Name: 5-[[3-(methoxymethyl)-5-propyl-1,2,4-triazol-4-yl]methyl]-2-phenyl-benzonitrile CAS Name: 5-[[3-(methoxymethyl)-5-propyl-1,2,4-triazol-4-yl]methyl]-2-phenylbenzonitrile IUPAC Name: 5-[[3-(methoxymethyl)-5-propyl-1,2,4-triazol-4-yl]methyl]-2-phenylbenzonitrile Traditional Name: 5-[[3-(methoxymethyl)-5-propyl-1,2,4-triazol-4-yl]methyl]-2-phenyl-benzonitrile Formula: C21H22N4O MolecularWeight: 346.42558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C#N)COC

Isomeric SMILES

CCCC1=NN=C(N1CC2=CC(=C(C=C2)C3=CC=CC=C3)C#N)COC

InChI

InChI=1S/C21H22N4O/c1-3-7-20-23-24-21(15-26-2)25(20)14-16-10-11-19(18(12-16)13-22)17-8-5-4-6-9-17/h4-6,8-12H,3,7,14-15H2,1-2H3