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

Systemtic Name: 3-[8-[[1-(3-chloranylpyridin-4-yl)carbonylpiperidin-4-yl]amino]isoquinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[[1-(3-chloropyridine-4-carbonyl)-4-piperidyl]amino]-6-isoquinolyl]benzonitrile CAS Name: 3-[8-[[1-[(3-chloro-4-pyridinyl)-oxomethyl]-4-piperidinyl]amino]-6-isoquinolinyl]benzonitrile IUPAC Name: 3-[8-[[1-(3-chloropyridine-4-carbonyl)piperidin-4-yl]amino]isoquinolin-6-yl]benzonitrile Traditional Name: 3-[8-[[1-(3-chloroisonicotinoyl)-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=C(C=NC=C5)Cl

Isomeric SMILES

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

InChI

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