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

Systemtic Name: 3-[8-[(1-pyridin-3-ylcarbonylazetidin-3-yl)amino]isoquinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[[1-(pyridine-3-carbonyl)azetidin-3-yl]amino]-6-isoquinolyl]benzonitrile CAS Name: 3-[8-[[1-[oxo(3-pyridinyl)methyl]-3-azetidinyl]amino]-6-isoquinolinyl]benzonitrile IUPAC Name: 3-[8-[[1-(pyridine-3-carbonyl)azetidin-3-yl]amino]isoquinolin-6-yl]benzonitrile Traditional Name: 3-[8-[(1-nicotinoylazetidin-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=CN=CC=C2)NC3=C4C=NC=CC4=CC(=C3)C5=CC=CC(=C5)C#N

Isomeric SMILES

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

InChI

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