3-[1-[[3-(4-azanylphenoxy)phenyl]amino]isoquinolin-5-yl]phenol

Systemtic Name: 3-[1-[[3-(4-azanylphenoxy)phenyl]amino]isoquinolin-5-yl]phenol Openeye Name: 3-[1-[3-(4-aminophenoxy)anilino]-5-isoquinolyl]phenol CAS Name: 3-[1-[3-(4-aminophenoxy)anilino]-5-isoquinolinyl]phenol IUPAC Name: 3-[1-[3-(4-aminophenoxy)anilino]isoquinolin-5-yl]phenol Traditional Name: 3-[1-[3-(4-aminophenoxy)anilino]-5-isoquinolyl]phenol Formula: C27H21N3O2 MolecularWeight: 419.47454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)C2=CC=CC3=C2C=CN=C3NC4=CC(=CC=C4)OC5=CC=C(C=C5)N

Isomeric SMILES

C1=CC(=CC(=C1)O)C2=CC=CC3=C2C=CN=C3NC4=CC(=CC=C4)OC5=CC=C(C=C5)N

InChI

InChI=1S/C27H21N3O2/c28-19-10-12-22(13-11-19)32-23-7-2-5-20(17-23)30-27-26-9-3-8-24(25(26)14-15-29-27)18-4-1-6-21(31)16-18/h1-17,31H,28H2,(H,29,30)