3-[(6-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(6-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(6-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)methyl]benzonitrile CAS Name: 3-[(6-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)methyl]benzonitrile IUPAC Name: 3-[(6-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)methyl]benzonitrile Traditional Name: 3-[(6-butyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)methyl]benzonitrile Formula: C20H19N3O2 MolecularWeight: 333.38376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC3=C(C=C2N1CC4=CC=CC(=C4)C#N)OCO3

Isomeric SMILES

CCCCC1=NC2=CC3=C(C=C2N1CC4=CC=CC(=C4)C#N)OCO3

InChI

InChI=1S/C20H19N3O2/c1-2-3-7-20-22-16-9-18-19(25-13-24-18)10-17(16)23(20)12-15-6-4-5-14(8-15)11-21/h4-6,8-10H,2-3,7,12-13H2,1H3