3-[8-[(1-pyridin-2-ylcarbonylazetidin-3-yl)amino]isoquinolin-6-yl]benzenecarbonitrile

Systemtic Name: 3-[8-[(1-pyridin-2-ylcarbonylazetidin-3-yl)amino]isoquinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[[1-(pyridine-2-carbonyl)azetidin-3-yl]amino]-6-isoquinolyl]benzonitrile CAS Name: 3-[8-[[1-[oxo(2-pyridinyl)methyl]-3-azetidinyl]amino]-6-isoquinolinyl]benzonitrile IUPAC Name: 3-[8-[[1-(pyridine-2-carbonyl)azetidin-3-yl]amino]isoquinolin-6-yl]benzonitrile Traditional Name: 3-[8-[(1-picolinoylazetidin-3-yl)amino]-6-isoquinolyl]benzonitrile Formula: C25H19N5O MolecularWeight: 405.45126

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN1C(=O)C2=CC=CC=N2)NC3=C4C=NC=CC4=CC(=C3)C5=CC=CC(=C5)C#N

Isomeric SMILES

C1C(CN1C(=O)C2=CC=CC=N2)NC3=C4C=NC=CC4=CC(=C3)C5=CC=CC(=C5)C#N

InChI

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