3-[8-[(1-pyridin-4-ylcarbonylazetidin-3-yl)amino]isoquinolin-6-yl]benzenecarbonitrile

Systemtic Name: 3-[8-[(1-pyridin-4-ylcarbonylazetidin-3-yl)amino]isoquinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[[1-(pyridine-4-carbonyl)azetidin-3-yl]amino]-6-isoquinolyl]benzonitrile CAS Name: 3-[8-[[1-[oxo(pyridin-4-yl)methyl]-3-azetidinyl]amino]-6-isoquinolinyl]benzonitrile IUPAC Name: 3-[8-[[1-(pyridine-4-carbonyl)azetidin-3-yl]amino]isoquinolin-6-yl]benzonitrile Traditional Name: 3-[8-[(1-isonicotinoylazetidin-3-yl)amino]-6-isoquinolyl]benzonitrile Formula: C25H19N5O MolecularWeight: 405.45126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1C(=O)C2=CC=NC=C2)NC3=C4C=NC=CC4=CC(=C3)C5=CC=CC(=C5)C#N

Isomeric SMILES

C1C(CN1C(=O)C2=CC=NC=C2)NC3=C4C=NC=CC4=CC(=C3)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C25H19N5O/c26-13-17-2-1-3-19(10-17)21-11-20-6-9-28-14-23(20)24(12-21)29-22-15-30(16-22)25(31)18-4-7-27-8-5-18/h1-12,14,22,29H,15-16H2