3-[[(5-isoquinolin-4-ylpyridin-3-yl)amino]methyl]phenol

Systemtic Name: 3-[[(5-isoquinolin-4-ylpyridin-3-yl)amino]methyl]phenol Openeye Name: 3-[[[5-(4-isoquinolyl)-3-pyridyl]amino]methyl]phenol CAS Name: 3-[[[5-(4-isoquinolinyl)-3-pyridinyl]amino]methyl]phenol IUPAC Name: 3-[[(5-isoquinolin-4-ylpyridin-3-yl)amino]methyl]phenol Traditional Name: 3-[[[5-(4-isoquinolyl)-3-pyridyl]amino]methyl]phenol Formula: C21H17N3O MolecularWeight: 327.37918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NC=C2C3=CC(=CN=C3)NCC4=CC(=CC=C4)O

Isomeric SMILES

C1=CC=C2C(=C1)C=NC=C2C3=CC(=CN=C3)NCC4=CC(=CC=C4)O

InChI

InChI=1S/C21H17N3O/c25-19-6-3-4-15(8-19)10-24-18-9-17(12-22-13-18)21-14-23-11-16-5-1-2-7-20(16)21/h1-9,11-14,24-25H,10H2