4-[5-(3,4-dimethoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzenecarbonitrile

Systemtic Name: 4-[5-(3,4-dimethoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzenecarbonitrile Openeye Name: 4-[5-(3,4-dimethoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzonitrile CAS Name: 4-[5-(3,4-dimethoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzonitrile IUPAC Name: 4-[5-(3,4-dimethoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzonitrile Traditional Name: 4-[5-(3,4-dimethoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzonitrile Formula: C20H17N5O2 MolecularWeight: 359.38128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(N3C(=N2)N=CN3)C4=CC=C(C=C4)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(N3C(=N2)N=CN3)C4=CC=C(C=C4)C#N)OC

InChI

InChI=1S/C20H17N5O2/c1-26-18-8-7-15(9-19(18)27-2)16-10-17(25-20(24-16)22-12-23-25)14-5-3-13(11-21)4-6-14/h3-10,12,17H,1-2H3,(H,22,23,24)