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

Systemtic Name: 3-[8-[[1-(6-chloranylpyridin-3-yl)carbonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[[1-(6-chloropyridine-3-carbonyl)-4-piperidyl]amino]-6-isoquinolyl]benzonitrile CAS Name: 3-[8-[[1-[(6-chloro-3-pyridinyl)-oxomethyl]-4-piperidinyl]amino]-6-isoquinolinyl]benzonitrile IUPAC Name: 3-[8-[[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile Traditional Name: 3-[8-[[1-(6-chloronicotinoyl)-4-piperidyl]amino]-6-isoquinolyl]benzonitrile Formula: C27H22ClN5O MolecularWeight: 467.94948

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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=CN=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H22ClN5O/c28-26-5-4-21(16-31-26)27(34)33-10-7-23(8-11-33)32-25-14-22(13-20-6-9-30-17-24(20)25)19-3-1-2-18(12-19)15-29/h1-6,9,12-14,16-17,23,32H,7-8,10-11H2