4-[2-(4-azanylimidazo[4,5-c]quinolin-1-yl)butoxymethyl]benzenecarbonitrile

Systemtic Name: 4-[2-(4-azanylimidazo[4,5-c]quinolin-1-yl)butoxymethyl]benzenecarbonitrile Openeye Name: 4-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)butoxymethyl]benzonitrile CAS Name: 4-[2-(4-amino-1-imidazo[4,5-c]quinolinyl)butoxymethyl]benzonitrile IUPAC Name: 4-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)butoxymethyl]benzonitrile Traditional Name: 4-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)butoxymethyl]benzonitrile Formula: C22H21N5O MolecularWeight: 371.43504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(COCC1=CC=C(C=C1)C#N)N2C=NC3=C2C4=CC=CC=C4N=C3N

Isomeric SMILES

CCC(COCC1=CC=C(C=C1)C#N)N2C=NC3=C2C4=CC=CC=C4N=C3N

InChI

InChI=1S/C22H21N5O/c1-2-17(13-28-12-16-9-7-15(11-23)8-10-16)27-14-25-20-21(27)18-5-3-4-6-19(18)26-22(20)24/h3-10,14,17H,2,12-13H2,1H3,(H2,24,26)