3-[[3-(8-azanyl-3-cyclobutyl-imidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[3-(8-azanyl-3-cyclobutyl-imidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]benzoic acid Openeye Name: 3-[[3-(8-amino-3-cyclobutyl-imidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]benzoic acid CAS Name: 3-[[3-(8-amino-3-cyclobutyl-1-imidazo[1,5-a]pyrazinyl)phenoxy]methyl]benzoic acid IUPAC Name: 3-[[3-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]benzoic acid Traditional Name: 3-[[3-(8-amino-3-cyclobutyl-imidazo[1,5-a]pyrazin-1-yl)phenoxy]methyl]benzoic acid Formula: C24H22N4O3 MolecularWeight: 414.45648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC(=CC=C4)OCC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC(=CC=C4)OCC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C24H22N4O3/c25-22-21-20(27-23(16-5-2-6-16)28(21)11-10-26-22)17-7-3-9-19(13-17)31-14-15-4-1-8-18(12-15)24(29)30/h1,3-4,7-13,16H,2,5-6,14H2,(H2,25,26)(H,29,30)