3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]benzenecarbonitrile

Systemtic Name: 3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]benzenecarbonitrile Openeye Name: 3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]benzonitrile CAS Name: 3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]benzonitrile IUPAC Name: 3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]benzonitrile Traditional Name: 3-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylamino]benzonitrile Formula: C18H16N4O3 MolecularWeight: 336.34464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)CNC3=CC=CC(=C3)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)CNC3=CC=CC(=C3)C#N)OC

InChI

InChI=1S/C18H16N4O3/c1-23-15-7-6-13(9-16(15)24-2)18-21-17(25-22-18)11-20-14-5-3-4-12(8-14)10-19/h3-9,20H,11H2,1-2H3