3-[8-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzenecarbonitrile

Systemtic Name: 3-[8-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[[1-(3-pyridylsulfonyl)-4-piperidyl]amino]-6-isoquinolyl]benzonitrile CAS Name: 3-[8-[[1-(3-pyridinylsulfonyl)-4-piperidinyl]amino]-6-isoquinolinyl]benzonitrile IUPAC Name: 3-[8-[(1-pyridin-3-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile Traditional Name: 3-[8-[[1-(3-pyridylsulfonyl)-4-piperidyl]amino]-6-isoquinolyl]benzonitrile Formula: C26H23N5O2S MolecularWeight: 469.55812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23N5O2S/c27-16-19-3-1-4-20(13-19)22-14-21-6-10-29-18-25(21)26(15-22)30-23-7-11-31(12-8-23)34(32,33)24-5-2-9-28-17-24/h1-6,9-10,13-15,17-18,23,30H,7-8,11-12H2