6-(azepan-1-ylmethyl)isoquinolin-5-ol

Systemtic Name: 6-(azepan-1-ylmethyl)isoquinolin-5-ol Openeye Name: 6-(azepan-1-ylmethyl)isoquinolin-5-ol CAS Name: 6-(1-azepanylmethyl)-5-isoquinolinol IUPAC Name: 6-(azepan-1-ylmethyl)isoquinolin-5-ol Traditional Name: 6-(azepan-1-ylmethyl)isoquinolin-5-ol Formula: C16H20N2O MolecularWeight: 256.3428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC2=C(C3=C(C=C2)C=NC=C3)O

Isomeric SMILES

C1CCCN(CC1)CC2=C(C3=C(C=C2)C=NC=C3)O

InChI

InChI=1S/C16H20N2O/c19-16-14(12-18-9-3-1-2-4-10-18)6-5-13-11-17-8-7-15(13)16/h5-8,11,19H,1-4,9-10,12H2