3-[8-[[1-(2-fluoranylpyridin-3-yl)carbonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzenecarbonitrile

Systemtic Name: 3-[8-[[1-(2-fluoranylpyridin-3-yl)carbonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[[1-(2-fluoropyridine-3-carbonyl)-4-piperidyl]amino]-6-isoquinolyl]benzonitrile CAS Name: 3-[8-[[1-[(2-fluoro-3-pyridinyl)-oxomethyl]-4-piperidinyl]amino]-6-isoquinolinyl]benzonitrile IUPAC Name: 3-[8-[[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile Traditional Name: 3-[8-[[1-(2-fluoronicotinoyl)-4-piperidyl]amino]-6-isoquinolyl]benzonitrile Formula: C27H22FN5O MolecularWeight: 451.494883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=C3C=NC=CC3=CC(=C2)C4=CC=CC(=C4)C#N)C(=O)C5=C(N=CC=C5)F

Isomeric SMILES

C1CN(CCC1NC2=C3C=NC=CC3=CC(=C2)C4=CC=CC(=C4)C#N)C(=O)C5=C(N=CC=C5)F

InChI

InChI=1S/C27H22FN5O/c28-26-23(5-2-9-31-26)27(34)33-11-7-22(8-12-33)32-25-15-21(14-20-6-10-30-17-24(20)25)19-4-1-3-18(13-19)16-29/h1-6,9-10,13-15,17,22,32H,7-8,11-12H2